Crystal and Molecular Structure of 3,5-Diphenyl-4,5-dihydro-2-phenylcarboxamide-1H-pyrazole View Full Text


Ontology type: schema:ScholarlyArticle     


Article Info

DATE

2017-12

AUTHORS

Hasan Tanak, İlhan Özer İlhan, Necmi Dege, Nazenin Akın, Emin Sarıpınar

ABSTRACT

Crystal structure of the title compound C22H19N3O is determined by single crystal X-ray diffraction (sp. gr. P21/c, Z = 4). The molecule as a whole, is not planar: phenyl cycles are rotated relative to the plane of pyrazole ring. N−H···N intramolecular hydrogen bond forms five-membered ring fused to pyrazole ring. There are also intramolecular C−H···O and C−H···π interactions. Intermolecular C−H···O hydrogen bond links the molecules into a C(7) chain along the a axis. The crystal structure is stabilized also by C–H···π and π···π intermolecular hydrogen bonds. More... »

PAGES

1078-1082

References to SciGraph publications

Identifiers

URI

http://scigraph.springernature.com/pub.10.1134/s1063774517070276

DOI

http://dx.doi.org/10.1134/s1063774517070276

DIMENSIONS

https://app.dimensions.ai/details/publication/pub.1101220945


Indexing Status Check whether this publication has been indexed by Scopus and Web Of Science using the SN Indexing Status Tool
Incoming Citations Browse incoming citations for this publication using opencitations.net

JSON-LD is the canonical representation for SciGraph data.

TIP: You can open this SciGraph record using an external JSON-LD service: JSON-LD Playground Google SDTT

[
  {
    "@context": "https://springernature.github.io/scigraph/jsonld/sgcontext.json", 
    "about": [
      {
        "id": "http://purl.org/au-research/vocabulary/anzsrc-for/2008/0306", 
        "inDefinedTermSet": "http://purl.org/au-research/vocabulary/anzsrc-for/2008/", 
        "name": "Physical Chemistry (incl. Structural)", 
        "type": "DefinedTerm"
      }, 
      {
        "id": "http://purl.org/au-research/vocabulary/anzsrc-for/2008/03", 
        "inDefinedTermSet": "http://purl.org/au-research/vocabulary/anzsrc-for/2008/", 
        "name": "Chemical Sciences", 
        "type": "DefinedTerm"
      }
    ], 
    "author": [
      {
        "affiliation": {
          "alternateName": "Amasya University", 
          "id": "https://www.grid.ac/institutes/grid.411355.7", 
          "name": [
            "Department of Physics, Faculty of Arts and Sciences, Amasya University, Amasya, Turkey"
          ], 
          "type": "Organization"
        }, 
        "familyName": "Tanak", 
        "givenName": "Hasan", 
        "id": "sg:person.0733125662.16", 
        "sameAs": [
          "https://app.dimensions.ai/discover/publication?and_facet_researcher=ur.0733125662.16"
        ], 
        "type": "Person"
      }, 
      {
        "affiliation": {
          "alternateName": "Erciyes University", 
          "id": "https://www.grid.ac/institutes/grid.411739.9", 
          "name": [
            "Department of Chemistry, Faculty of Sciences, Erciyes University, Kayseri, Turkey"
          ], 
          "type": "Organization"
        }, 
        "familyName": "\u0130lhan", 
        "givenName": "\u0130lhan \u00d6zer", 
        "id": "sg:person.012744020375.12", 
        "sameAs": [
          "https://app.dimensions.ai/discover/publication?and_facet_researcher=ur.012744020375.12"
        ], 
        "type": "Person"
      }, 
      {
        "affiliation": {
          "alternateName": "Ondokuz May\u0131s University", 
          "id": "https://www.grid.ac/institutes/grid.411049.9", 
          "name": [
            "Department of Physics, Faculty of Arts and Sciences, Ondokuz May\u0131s University, Samsun, Turkey"
          ], 
          "type": "Organization"
        }, 
        "familyName": "Dege", 
        "givenName": "Necmi", 
        "id": "sg:person.01171507645.10", 
        "sameAs": [
          "https://app.dimensions.ai/discover/publication?and_facet_researcher=ur.01171507645.10"
        ], 
        "type": "Person"
      }, 
      {
        "affiliation": {
          "alternateName": "Erciyes University", 
          "id": "https://www.grid.ac/institutes/grid.411739.9", 
          "name": [
            "Department of Chemistry, Faculty of Sciences, Erciyes University, Kayseri, Turkey"
          ], 
          "type": "Organization"
        }, 
        "familyName": "Ak\u0131n", 
        "givenName": "Nazenin", 
        "id": "sg:person.016163400115.29", 
        "sameAs": [
          "https://app.dimensions.ai/discover/publication?and_facet_researcher=ur.016163400115.29"
        ], 
        "type": "Person"
      }, 
      {
        "affiliation": {
          "alternateName": "Erciyes University", 
          "id": "https://www.grid.ac/institutes/grid.411739.9", 
          "name": [
            "Department of Chemistry, Faculty of Sciences, Erciyes University, Kayseri, Turkey"
          ], 
          "type": "Organization"
        }, 
        "familyName": "Sar\u0131p\u0131nar", 
        "givenName": "Emin", 
        "id": "sg:person.0677356427.54", 
        "sameAs": [
          "https://app.dimensions.ai/discover/publication?and_facet_researcher=ur.0677356427.54"
        ], 
        "type": "Person"
      }
    ], 
    "citation": [
      {
        "id": "sg:pub.10.1134/s106377451408001x", 
        "sameAs": [
          "https://app.dimensions.ai/details/publication/pub.1001011663", 
          "https://doi.org/10.1134/s106377451408001x"
        ], 
        "type": "CreativeWork"
      }, 
      {
        "id": "https://doi.org/10.1002/(sici)1096-9063(199612)48:4<269::aid-ps478>3.0.co;2-b", 
        "sameAs": [
          "https://app.dimensions.ai/details/publication/pub.1013958678"
        ], 
        "type": "CreativeWork"
      }, 
      {
        "id": "https://doi.org/10.1107/s1600536804010517", 
        "sameAs": [
          "https://app.dimensions.ai/details/publication/pub.1014222780"
        ], 
        "type": "CreativeWork"
      }, 
      {
        "id": "https://doi.org/10.1107/s002188980600731x", 
        "sameAs": [
          "https://app.dimensions.ai/details/publication/pub.1020120347"
        ], 
        "type": "CreativeWork"
      }, 
      {
        "id": "https://doi.org/10.1002/ardp.19873200311", 
        "sameAs": [
          "https://app.dimensions.ai/details/publication/pub.1025555331"
        ], 
        "type": "CreativeWork"
      }, 
      {
        "id": "https://doi.org/10.1107/s0108767307043930", 
        "sameAs": [
          "https://app.dimensions.ai/details/publication/pub.1027786902"
        ], 
        "type": "CreativeWork"
      }, 
      {
        "id": "https://doi.org/10.1107/s010827010400890x", 
        "sameAs": [
          "https://app.dimensions.ai/details/publication/pub.1030082684"
        ], 
        "type": "CreativeWork"
      }, 
      {
        "id": "https://doi.org/10.1107/s0021889897003117", 
        "sameAs": [
          "https://app.dimensions.ai/details/publication/pub.1030678188"
        ], 
        "type": "CreativeWork"
      }, 
      {
        "id": "https://doi.org/10.1080/07328319808004307", 
        "sameAs": [
          "https://app.dimensions.ai/details/publication/pub.1034691952"
        ], 
        "type": "CreativeWork"
      }, 
      {
        "id": "https://doi.org/10.1515/hc.2009.15.4.279", 
        "sameAs": [
          "https://app.dimensions.ai/details/publication/pub.1041253456"
        ], 
        "type": "CreativeWork"
      }, 
      {
        "id": "https://doi.org/10.1002/anie.199515551", 
        "sameAs": [
          "https://app.dimensions.ai/details/publication/pub.1049738383"
        ], 
        "type": "CreativeWork"
      }, 
      {
        "id": "https://doi.org/10.1021/jm00199a015", 
        "sameAs": [
          "https://app.dimensions.ai/details/publication/pub.1055938519"
        ], 
        "type": "CreativeWork"
      }, 
      {
        "id": "https://doi.org/10.1021/jm00204a012", 
        "sameAs": [
          "https://app.dimensions.ai/details/publication/pub.1055938641"
        ], 
        "type": "CreativeWork"
      }, 
      {
        "id": "https://app.dimensions.ai/details/publication/pub.1103194083", 
        "type": "CreativeWork"
      }, 
      {
        "id": "https://app.dimensions.ai/details/publication/pub.1109705875", 
        "type": "CreativeWork"
      }, 
      {
        "id": "sg:pub.10.1007/978-1-4899-3222-8", 
        "sameAs": [
          "https://app.dimensions.ai/details/publication/pub.1109705875", 
          "https://doi.org/10.1007/978-1-4899-3222-8"
        ], 
        "type": "CreativeWork"
      }, 
      {
        "id": "sg:pub.10.1007/978-1-4899-3222-8", 
        "sameAs": [
          "https://app.dimensions.ai/details/publication/pub.1109705875", 
          "https://doi.org/10.1007/978-1-4899-3222-8"
        ], 
        "type": "CreativeWork"
      }
    ], 
    "datePublished": "2017-12", 
    "datePublishedReg": "2017-12-01", 
    "description": "Crystal structure of the title compound C22H19N3O is determined by single crystal X-ray diffraction (sp. gr. P21/c, Z = 4). The molecule as a whole, is not planar: phenyl cycles are rotated relative to the plane of pyrazole ring. N\u2212H\u00b7\u00b7\u00b7N intramolecular hydrogen bond forms five-membered ring fused to pyrazole ring. There are also intramolecular C\u2212H\u00b7\u00b7\u00b7O and C\u2212H\u00b7\u00b7\u00b7\u03c0 interactions. Intermolecular C\u2212H\u00b7\u00b7\u00b7O hydrogen bond links the molecules into a C(7) chain along the a axis. The crystal structure is stabilized also by C\u2013H\u00b7\u00b7\u00b7\u03c0 and \u03c0\u00b7\u00b7\u00b7\u03c0 intermolecular hydrogen bonds.", 
    "genre": "research_article", 
    "id": "sg:pub.10.1134/s1063774517070276", 
    "inLanguage": [
      "en"
    ], 
    "isAccessibleForFree": false, 
    "isPartOf": [
      {
        "id": "sg:journal.1295066", 
        "issn": [
          "0023-4761", 
          "0038-5638"
        ], 
        "name": "Crystallography Reports", 
        "type": "Periodical"
      }, 
      {
        "issueNumber": "7", 
        "type": "PublicationIssue"
      }, 
      {
        "type": "PublicationVolume", 
        "volumeNumber": "62"
      }
    ], 
    "name": "Crystal and Molecular Structure of 3,5-Diphenyl-4,5-dihydro-2-phenylcarboxamide-1H-pyrazole", 
    "pagination": "1078-1082", 
    "productId": [
      {
        "name": "readcube_id", 
        "type": "PropertyValue", 
        "value": [
          "d09edd5e921708dc4f2ba32d46a50acfb4ea17d5f3d8bc82c6d9fa8a323c3833"
        ]
      }, 
      {
        "name": "doi", 
        "type": "PropertyValue", 
        "value": [
          "10.1134/s1063774517070276"
        ]
      }, 
      {
        "name": "dimensions_id", 
        "type": "PropertyValue", 
        "value": [
          "pub.1101220945"
        ]
      }
    ], 
    "sameAs": [
      "https://doi.org/10.1134/s1063774517070276", 
      "https://app.dimensions.ai/details/publication/pub.1101220945"
    ], 
    "sdDataset": "articles", 
    "sdDatePublished": "2019-04-11T09:56", 
    "sdLicense": "https://scigraph.springernature.com/explorer/license/", 
    "sdPublisher": {
      "name": "Springer Nature - SN SciGraph project", 
      "type": "Organization"
    }, 
    "sdSource": "s3://com-uberresearch-data-dimensions-target-20181106-alternative/cleanup/v134/2549eaecd7973599484d7c17b260dba0a4ecb94b/merge/v9/a6c9fde33151104705d4d7ff012ea9563521a3ce/jats-lookup/v90/0000000347_0000000347/records_89804_00000003.jsonl", 
    "type": "ScholarlyArticle", 
    "url": "https://link.springer.com/10.1134%2FS1063774517070276"
  }
]
 

Download the RDF metadata as:  json-ld nt turtle xml License info

HOW TO GET THIS DATA PROGRAMMATICALLY:

JSON-LD is a popular format for linked data which is fully compatible with JSON.

curl -H 'Accept: application/ld+json' 'https://scigraph.springernature.com/pub.10.1134/s1063774517070276'

N-Triples is a line-based linked data format ideal for batch operations.

curl -H 'Accept: application/n-triples' 'https://scigraph.springernature.com/pub.10.1134/s1063774517070276'

Turtle is a human-readable linked data format.

curl -H 'Accept: text/turtle' 'https://scigraph.springernature.com/pub.10.1134/s1063774517070276'

RDF/XML is a standard XML format for linked data.

curl -H 'Accept: application/rdf+xml' 'https://scigraph.springernature.com/pub.10.1134/s1063774517070276'


 

This table displays all metadata directly associated to this object as RDF triples.

143 TRIPLES      21 PREDICATES      43 URIs      19 LITERALS      7 BLANK NODES

Subject Predicate Object
1 sg:pub.10.1134/s1063774517070276 schema:about anzsrc-for:03
2 anzsrc-for:0306
3 schema:author N8cf4e3d1507044188242eef4d42d3ff2
4 schema:citation sg:pub.10.1007/978-1-4899-3222-8
5 sg:pub.10.1134/s106377451408001x
6 https://app.dimensions.ai/details/publication/pub.1103194083
7 https://app.dimensions.ai/details/publication/pub.1109705875
8 https://doi.org/10.1002/(sici)1096-9063(199612)48:4<269::aid-ps478>3.0.co;2-b
9 https://doi.org/10.1002/anie.199515551
10 https://doi.org/10.1002/ardp.19873200311
11 https://doi.org/10.1021/jm00199a015
12 https://doi.org/10.1021/jm00204a012
13 https://doi.org/10.1080/07328319808004307
14 https://doi.org/10.1107/s002188980600731x
15 https://doi.org/10.1107/s0021889897003117
16 https://doi.org/10.1107/s010827010400890x
17 https://doi.org/10.1107/s0108767307043930
18 https://doi.org/10.1107/s1600536804010517
19 https://doi.org/10.1515/hc.2009.15.4.279
20 schema:datePublished 2017-12
21 schema:datePublishedReg 2017-12-01
22 schema:description Crystal structure of the title compound C22H19N3O is determined by single crystal X-ray diffraction (sp. gr. P21/c, Z = 4). The molecule as a whole, is not planar: phenyl cycles are rotated relative to the plane of pyrazole ring. N−H···N intramolecular hydrogen bond forms five-membered ring fused to pyrazole ring. There are also intramolecular C−H···O and C−H···π interactions. Intermolecular C−H···O hydrogen bond links the molecules into a C(7) chain along the a axis. The crystal structure is stabilized also by C–H···π and π···π intermolecular hydrogen bonds.
23 schema:genre research_article
24 schema:inLanguage en
25 schema:isAccessibleForFree false
26 schema:isPartOf N12e3c96f1107435aa09368b99795c05c
27 N2fa4109cfb404effbf30f2eea67e9d6c
28 sg:journal.1295066
29 schema:name Crystal and Molecular Structure of 3,5-Diphenyl-4,5-dihydro-2-phenylcarboxamide-1H-pyrazole
30 schema:pagination 1078-1082
31 schema:productId N419706f1ff134ef6ac536f438cb9970e
32 Nb10b7b7eb76a40f3acae9c831e922d40
33 Nd358d647f70049f39a4120a1424832e5
34 schema:sameAs https://app.dimensions.ai/details/publication/pub.1101220945
35 https://doi.org/10.1134/s1063774517070276
36 schema:sdDatePublished 2019-04-11T09:56
37 schema:sdLicense https://scigraph.springernature.com/explorer/license/
38 schema:sdPublisher Na6217e539bc943148da791b0efd61f89
39 schema:url https://link.springer.com/10.1134%2FS1063774517070276
40 sgo:license sg:explorer/license/
41 sgo:sdDataset articles
42 rdf:type schema:ScholarlyArticle
43 N12e3c96f1107435aa09368b99795c05c schema:issueNumber 7
44 rdf:type schema:PublicationIssue
45 N2fa4109cfb404effbf30f2eea67e9d6c schema:volumeNumber 62
46 rdf:type schema:PublicationVolume
47 N419706f1ff134ef6ac536f438cb9970e schema:name doi
48 schema:value 10.1134/s1063774517070276
49 rdf:type schema:PropertyValue
50 N461e2b2b9fe34784853351bad8039fe4 rdf:first sg:person.012744020375.12
51 rdf:rest N85eccbf1e5d74f09a637a7850c0f410b
52 N85eccbf1e5d74f09a637a7850c0f410b rdf:first sg:person.01171507645.10
53 rdf:rest Nf8864f7eb09344f6ab31ed7efa696fae
54 N8cf4e3d1507044188242eef4d42d3ff2 rdf:first sg:person.0733125662.16
55 rdf:rest N461e2b2b9fe34784853351bad8039fe4
56 Na6217e539bc943148da791b0efd61f89 schema:name Springer Nature - SN SciGraph project
57 rdf:type schema:Organization
58 Nb10b7b7eb76a40f3acae9c831e922d40 schema:name readcube_id
59 schema:value d09edd5e921708dc4f2ba32d46a50acfb4ea17d5f3d8bc82c6d9fa8a323c3833
60 rdf:type schema:PropertyValue
61 Nb35eaf14fa5140b693a08d6deaee8fa4 rdf:first sg:person.0677356427.54
62 rdf:rest rdf:nil
63 Nd358d647f70049f39a4120a1424832e5 schema:name dimensions_id
64 schema:value pub.1101220945
65 rdf:type schema:PropertyValue
66 Nf8864f7eb09344f6ab31ed7efa696fae rdf:first sg:person.016163400115.29
67 rdf:rest Nb35eaf14fa5140b693a08d6deaee8fa4
68 anzsrc-for:03 schema:inDefinedTermSet anzsrc-for:
69 schema:name Chemical Sciences
70 rdf:type schema:DefinedTerm
71 anzsrc-for:0306 schema:inDefinedTermSet anzsrc-for:
72 schema:name Physical Chemistry (incl. Structural)
73 rdf:type schema:DefinedTerm
74 sg:journal.1295066 schema:issn 0023-4761
75 0038-5638
76 schema:name Crystallography Reports
77 rdf:type schema:Periodical
78 sg:person.01171507645.10 schema:affiliation https://www.grid.ac/institutes/grid.411049.9
79 schema:familyName Dege
80 schema:givenName Necmi
81 schema:sameAs https://app.dimensions.ai/discover/publication?and_facet_researcher=ur.01171507645.10
82 rdf:type schema:Person
83 sg:person.012744020375.12 schema:affiliation https://www.grid.ac/institutes/grid.411739.9
84 schema:familyName İlhan
85 schema:givenName İlhan Özer
86 schema:sameAs https://app.dimensions.ai/discover/publication?and_facet_researcher=ur.012744020375.12
87 rdf:type schema:Person
88 sg:person.016163400115.29 schema:affiliation https://www.grid.ac/institutes/grid.411739.9
89 schema:familyName Akın
90 schema:givenName Nazenin
91 schema:sameAs https://app.dimensions.ai/discover/publication?and_facet_researcher=ur.016163400115.29
92 rdf:type schema:Person
93 sg:person.0677356427.54 schema:affiliation https://www.grid.ac/institutes/grid.411739.9
94 schema:familyName Sarıpınar
95 schema:givenName Emin
96 schema:sameAs https://app.dimensions.ai/discover/publication?and_facet_researcher=ur.0677356427.54
97 rdf:type schema:Person
98 sg:person.0733125662.16 schema:affiliation https://www.grid.ac/institutes/grid.411355.7
99 schema:familyName Tanak
100 schema:givenName Hasan
101 schema:sameAs https://app.dimensions.ai/discover/publication?and_facet_researcher=ur.0733125662.16
102 rdf:type schema:Person
103 sg:pub.10.1007/978-1-4899-3222-8 schema:sameAs https://app.dimensions.ai/details/publication/pub.1109705875
104 https://doi.org/10.1007/978-1-4899-3222-8
105 rdf:type schema:CreativeWork
106 sg:pub.10.1134/s106377451408001x schema:sameAs https://app.dimensions.ai/details/publication/pub.1001011663
107 https://doi.org/10.1134/s106377451408001x
108 rdf:type schema:CreativeWork
109 https://app.dimensions.ai/details/publication/pub.1103194083 schema:CreativeWork
110 https://app.dimensions.ai/details/publication/pub.1109705875 schema:CreativeWork
111 https://doi.org/10.1002/(sici)1096-9063(199612)48:4<269::aid-ps478>3.0.co;2-b schema:sameAs https://app.dimensions.ai/details/publication/pub.1013958678
112 rdf:type schema:CreativeWork
113 https://doi.org/10.1002/anie.199515551 schema:sameAs https://app.dimensions.ai/details/publication/pub.1049738383
114 rdf:type schema:CreativeWork
115 https://doi.org/10.1002/ardp.19873200311 schema:sameAs https://app.dimensions.ai/details/publication/pub.1025555331
116 rdf:type schema:CreativeWork
117 https://doi.org/10.1021/jm00199a015 schema:sameAs https://app.dimensions.ai/details/publication/pub.1055938519
118 rdf:type schema:CreativeWork
119 https://doi.org/10.1021/jm00204a012 schema:sameAs https://app.dimensions.ai/details/publication/pub.1055938641
120 rdf:type schema:CreativeWork
121 https://doi.org/10.1080/07328319808004307 schema:sameAs https://app.dimensions.ai/details/publication/pub.1034691952
122 rdf:type schema:CreativeWork
123 https://doi.org/10.1107/s002188980600731x schema:sameAs https://app.dimensions.ai/details/publication/pub.1020120347
124 rdf:type schema:CreativeWork
125 https://doi.org/10.1107/s0021889897003117 schema:sameAs https://app.dimensions.ai/details/publication/pub.1030678188
126 rdf:type schema:CreativeWork
127 https://doi.org/10.1107/s010827010400890x schema:sameAs https://app.dimensions.ai/details/publication/pub.1030082684
128 rdf:type schema:CreativeWork
129 https://doi.org/10.1107/s0108767307043930 schema:sameAs https://app.dimensions.ai/details/publication/pub.1027786902
130 rdf:type schema:CreativeWork
131 https://doi.org/10.1107/s1600536804010517 schema:sameAs https://app.dimensions.ai/details/publication/pub.1014222780
132 rdf:type schema:CreativeWork
133 https://doi.org/10.1515/hc.2009.15.4.279 schema:sameAs https://app.dimensions.ai/details/publication/pub.1041253456
134 rdf:type schema:CreativeWork
135 https://www.grid.ac/institutes/grid.411049.9 schema:alternateName Ondokuz Mayıs University
136 schema:name Department of Physics, Faculty of Arts and Sciences, Ondokuz Mayıs University, Samsun, Turkey
137 rdf:type schema:Organization
138 https://www.grid.ac/institutes/grid.411355.7 schema:alternateName Amasya University
139 schema:name Department of Physics, Faculty of Arts and Sciences, Amasya University, Amasya, Turkey
140 rdf:type schema:Organization
141 https://www.grid.ac/institutes/grid.411739.9 schema:alternateName Erciyes University
142 schema:name Department of Chemistry, Faculty of Sciences, Erciyes University, Kayseri, Turkey
143 rdf:type schema:Organization
 




Preview window. Press ESC to close (or click here)


...