Crystal structure of 1-acetyl-3-(4-methylphenyl)-5-phenyl-4,5-dihydro-1H-pyrazole View Full Text


Ontology type: schema:ScholarlyArticle     


Article Info

DATE

2014-11-26

AUTHORS

H. Bülbül, F. Tinmaz, N. Dege, İ. Özer İlhan, E. Sarıpınar

ABSTRACT

In the title compound, C18H18N2O, the whole molecule is not planar but the phenyl ring systems are planar individually. The central pyrazole ring system is twisted with puckering parameters Q = 0.1610(18) Å and φ = 82.2(6)°. The crystallographic structure is stabilized by C-H⋯N type intramolecular hydrogen bond, generating ring motif R(5). More... »

PAGES

1071-1073

References to SciGraph publications

Identifiers

URI

http://scigraph.springernature.com/pub.10.1134/s106377451408001x

DOI

http://dx.doi.org/10.1134/s106377451408001x

DIMENSIONS

https://app.dimensions.ai/details/publication/pub.1001011663


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/2008/03", 
        "inDefinedTermSet": "http://purl.org/au-research/vocabulary/anzsrc-for/2008/", 
        "name": "Chemical Sciences", 
        "type": "DefinedTerm"
      }, 
      {
        "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"
      }
    ], 
    "author": [
      {
        "affiliation": {
          "alternateName": "Department of Physics, Faculty of Arts and Sciences, Ondokuz May\u0131s University, 55200, Samsun, Turkey", 
          "id": "http://www.grid.ac/institutes/grid.411049.9", 
          "name": [
            "Department of Physics, Faculty of Arts and Sciences, Ondokuz May\u0131s University, 55200, Samsun, Turkey"
          ], 
          "type": "Organization"
        }, 
        "familyName": "B\u00fclb\u00fcl", 
        "givenName": "H.", 
        "id": "sg:person.014475554275.70", 
        "sameAs": [
          "https://app.dimensions.ai/discover/publication?and_facet_researcher=ur.014475554275.70"
        ], 
        "type": "Person"
      }, 
      {
        "affiliation": {
          "alternateName": "Department of Physics, Faculty of Sciences, Erciyes University, 38039, Kayseri, Turkey", 
          "id": "http://www.grid.ac/institutes/grid.411739.9", 
          "name": [
            "Department of Physics, Faculty of Sciences, Erciyes University, 38039, Kayseri, Turkey"
          ], 
          "type": "Organization"
        }, 
        "familyName": "Tinmaz", 
        "givenName": "F.", 
        "id": "sg:person.010541532173.19", 
        "sameAs": [
          "https://app.dimensions.ai/discover/publication?and_facet_researcher=ur.010541532173.19"
        ], 
        "type": "Person"
      }, 
      {
        "affiliation": {
          "alternateName": "Department of Physics, Faculty of Arts and Sciences, Ondokuz May\u0131s University, 55200, Samsun, Turkey", 
          "id": "http://www.grid.ac/institutes/grid.411049.9", 
          "name": [
            "Department of Physics, Faculty of Arts and Sciences, Ondokuz May\u0131s University, 55200, Samsun, Turkey"
          ], 
          "type": "Organization"
        }, 
        "familyName": "Dege", 
        "givenName": "N.", 
        "id": "sg:person.01171507645.10", 
        "sameAs": [
          "https://app.dimensions.ai/discover/publication?and_facet_researcher=ur.01171507645.10"
        ], 
        "type": "Person"
      }, 
      {
        "affiliation": {
          "alternateName": "Department of Physics, Faculty of Sciences, Erciyes University, 38039, Kayseri, Turkey", 
          "id": "http://www.grid.ac/institutes/grid.411739.9", 
          "name": [
            "Department of Physics, Faculty of Sciences, Erciyes University, 38039, Kayseri, Turkey"
          ], 
          "type": "Organization"
        }, 
        "familyName": "\u00d6zer \u0130lhan", 
        "givenName": "\u0130.", 
        "id": "sg:person.011777652577.95", 
        "sameAs": [
          "https://app.dimensions.ai/discover/publication?and_facet_researcher=ur.011777652577.95"
        ], 
        "type": "Person"
      }, 
      {
        "affiliation": {
          "alternateName": "Department of Physics, Faculty of Sciences, Erciyes University, 38039, Kayseri, Turkey", 
          "id": "http://www.grid.ac/institutes/grid.411739.9", 
          "name": [
            "Department of Physics, Faculty of Sciences, Erciyes University, 38039, Kayseri, Turkey"
          ], 
          "type": "Organization"
        }, 
        "familyName": "Sar\u0131p\u0131nar", 
        "givenName": "E.", 
        "id": "sg:person.0677356427.54", 
        "sameAs": [
          "https://app.dimensions.ai/discover/publication?and_facet_researcher=ur.0677356427.54"
        ], 
        "type": "Person"
      }
    ], 
    "citation": [
      {
        "id": "sg:pub.10.1155/2009/361564", 
        "sameAs": [
          "https://app.dimensions.ai/details/publication/pub.1045568219", 
          "https://doi.org/10.1155/2009/361564"
        ], 
        "type": "CreativeWork"
      }
    ], 
    "datePublished": "2014-11-26", 
    "datePublishedReg": "2014-11-26", 
    "description": "In the title compound, C18H18N2O, the whole molecule is not planar but the phenyl ring systems are planar individually. The central pyrazole ring system is twisted with puckering parameters Q = 0.1610(18) \u00c5 and \u03c6 = 82.2(6)\u00b0. The crystallographic structure is stabilized by C-H\u22efN type intramolecular hydrogen bond, generating ring motif R(5).", 
    "genre": "article", 
    "id": "sg:pub.10.1134/s106377451408001x", 
    "inLanguage": "en", 
    "isAccessibleForFree": false, 
    "isPartOf": [
      {
        "id": "sg:journal.1295066", 
        "issn": [
          "0023-4761", 
          "0038-5638"
        ], 
        "name": "Crystallography Reports", 
        "publisher": "Pleiades Publishing", 
        "type": "Periodical"
      }, 
      {
        "issueNumber": "7", 
        "type": "PublicationIssue"
      }, 
      {
        "type": "PublicationVolume", 
        "volumeNumber": "59"
      }
    ], 
    "keywords": [
      "type intramolecular hydrogen bond", 
      "intramolecular hydrogen bond", 
      "ring system", 
      "phenyl ring system", 
      "pyrazole ring system", 
      "hydrogen bonds", 
      "crystal structure", 
      "title compound", 
      "whole molecule", 
      "crystallographic structure", 
      "ring motif", 
      "bonds", 
      "pyrazole", 
      "compounds", 
      "planar", 
      "structure", 
      "molecules", 
      "system", 
      "motif", 
      "parameter q", 
      "C18H18N2O", 
      "central pyrazole ring system"
    ], 
    "name": "Crystal structure of 1-acetyl-3-(4-methylphenyl)-5-phenyl-4,5-dihydro-1H-pyrazole", 
    "pagination": "1071-1073", 
    "productId": [
      {
        "name": "dimensions_id", 
        "type": "PropertyValue", 
        "value": [
          "pub.1001011663"
        ]
      }, 
      {
        "name": "doi", 
        "type": "PropertyValue", 
        "value": [
          "10.1134/s106377451408001x"
        ]
      }
    ], 
    "sameAs": [
      "https://doi.org/10.1134/s106377451408001x", 
      "https://app.dimensions.ai/details/publication/pub.1001011663"
    ], 
    "sdDataset": "articles", 
    "sdDatePublished": "2021-12-01T19:30", 
    "sdLicense": "https://scigraph.springernature.com/explorer/license/", 
    "sdPublisher": {
      "name": "Springer Nature - SN SciGraph project", 
      "type": "Organization"
    }, 
    "sdSource": "s3://com-springernature-scigraph/baseset/20211201/entities/gbq_results/article/article_618.jsonl", 
    "type": "ScholarlyArticle", 
    "url": "https://doi.org/10.1134/s106377451408001x"
  }
]
 

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/s106377451408001x'

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/s106377451408001x'

Turtle is a human-readable linked data format.

curl -H 'Accept: text/turtle' 'https://scigraph.springernature.com/pub.10.1134/s106377451408001x'

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

curl -H 'Accept: application/rdf+xml' 'https://scigraph.springernature.com/pub.10.1134/s106377451408001x'


 

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

115 TRIPLES      22 PREDICATES      48 URIs      39 LITERALS      6 BLANK NODES

Subject Predicate Object
1 sg:pub.10.1134/s106377451408001x schema:about anzsrc-for:03
2 anzsrc-for:0306
3 schema:author N6a841d2c1f2343a6937487f1ca1be90d
4 schema:citation sg:pub.10.1155/2009/361564
5 schema:datePublished 2014-11-26
6 schema:datePublishedReg 2014-11-26
7 schema:description In the title compound, C18H18N2O, the whole molecule is not planar but the phenyl ring systems are planar individually. The central pyrazole ring system is twisted with puckering parameters Q = 0.1610(18) Å and φ = 82.2(6)°. The crystallographic structure is stabilized by C-H⋯N type intramolecular hydrogen bond, generating ring motif R(5).
8 schema:genre article
9 schema:inLanguage en
10 schema:isAccessibleForFree false
11 schema:isPartOf N41fe0bdc2d894c4a82e3197120ed3239
12 N9fc8b167efeb47cc8cc37f26302e8a33
13 sg:journal.1295066
14 schema:keywords C18H18N2O
15 bonds
16 central pyrazole ring system
17 compounds
18 crystal structure
19 crystallographic structure
20 hydrogen bonds
21 intramolecular hydrogen bond
22 molecules
23 motif
24 parameter q
25 phenyl ring system
26 planar
27 pyrazole
28 pyrazole ring system
29 ring motif
30 ring system
31 structure
32 system
33 title compound
34 type intramolecular hydrogen bond
35 whole molecule
36 schema:name Crystal structure of 1-acetyl-3-(4-methylphenyl)-5-phenyl-4,5-dihydro-1H-pyrazole
37 schema:pagination 1071-1073
38 schema:productId N534d030efb7840c5820a8e3f830c3cd0
39 Na66f575d7ca6498ca681aeb03da195c2
40 schema:sameAs https://app.dimensions.ai/details/publication/pub.1001011663
41 https://doi.org/10.1134/s106377451408001x
42 schema:sdDatePublished 2021-12-01T19:30
43 schema:sdLicense https://scigraph.springernature.com/explorer/license/
44 schema:sdPublisher Nb841f0896f12450093c032993119a2a9
45 schema:url https://doi.org/10.1134/s106377451408001x
46 sgo:license sg:explorer/license/
47 sgo:sdDataset articles
48 rdf:type schema:ScholarlyArticle
49 N0d47dc0707d94a04bb10583042d18e7a rdf:first sg:person.011777652577.95
50 rdf:rest N9cdcf474a6744b2b9705772f183bf83f
51 N3470c4089633471db2734e5488a4e268 rdf:first sg:person.01171507645.10
52 rdf:rest N0d47dc0707d94a04bb10583042d18e7a
53 N41fe0bdc2d894c4a82e3197120ed3239 schema:issueNumber 7
54 rdf:type schema:PublicationIssue
55 N534d030efb7840c5820a8e3f830c3cd0 schema:name dimensions_id
56 schema:value pub.1001011663
57 rdf:type schema:PropertyValue
58 N5bf3f81f873445ba8f55ccd6bda9644a rdf:first sg:person.010541532173.19
59 rdf:rest N3470c4089633471db2734e5488a4e268
60 N6a841d2c1f2343a6937487f1ca1be90d rdf:first sg:person.014475554275.70
61 rdf:rest N5bf3f81f873445ba8f55ccd6bda9644a
62 N9cdcf474a6744b2b9705772f183bf83f rdf:first sg:person.0677356427.54
63 rdf:rest rdf:nil
64 N9fc8b167efeb47cc8cc37f26302e8a33 schema:volumeNumber 59
65 rdf:type schema:PublicationVolume
66 Na66f575d7ca6498ca681aeb03da195c2 schema:name doi
67 schema:value 10.1134/s106377451408001x
68 rdf:type schema:PropertyValue
69 Nb841f0896f12450093c032993119a2a9 schema:name Springer Nature - SN SciGraph project
70 rdf:type schema:Organization
71 anzsrc-for:03 schema:inDefinedTermSet anzsrc-for:
72 schema:name Chemical Sciences
73 rdf:type schema:DefinedTerm
74 anzsrc-for:0306 schema:inDefinedTermSet anzsrc-for:
75 schema:name Physical Chemistry (incl. Structural)
76 rdf:type schema:DefinedTerm
77 sg:journal.1295066 schema:issn 0023-4761
78 0038-5638
79 schema:name Crystallography Reports
80 schema:publisher Pleiades Publishing
81 rdf:type schema:Periodical
82 sg:person.010541532173.19 schema:affiliation grid-institutes:grid.411739.9
83 schema:familyName Tinmaz
84 schema:givenName F.
85 schema:sameAs https://app.dimensions.ai/discover/publication?and_facet_researcher=ur.010541532173.19
86 rdf:type schema:Person
87 sg:person.01171507645.10 schema:affiliation grid-institutes:grid.411049.9
88 schema:familyName Dege
89 schema:givenName N.
90 schema:sameAs https://app.dimensions.ai/discover/publication?and_facet_researcher=ur.01171507645.10
91 rdf:type schema:Person
92 sg:person.011777652577.95 schema:affiliation grid-institutes:grid.411739.9
93 schema:familyName Özer İlhan
94 schema:givenName İ.
95 schema:sameAs https://app.dimensions.ai/discover/publication?and_facet_researcher=ur.011777652577.95
96 rdf:type schema:Person
97 sg:person.014475554275.70 schema:affiliation grid-institutes:grid.411049.9
98 schema:familyName Bülbül
99 schema:givenName H.
100 schema:sameAs https://app.dimensions.ai/discover/publication?and_facet_researcher=ur.014475554275.70
101 rdf:type schema:Person
102 sg:person.0677356427.54 schema:affiliation grid-institutes:grid.411739.9
103 schema:familyName Sarıpınar
104 schema:givenName E.
105 schema:sameAs https://app.dimensions.ai/discover/publication?and_facet_researcher=ur.0677356427.54
106 rdf:type schema:Person
107 sg:pub.10.1155/2009/361564 schema:sameAs https://app.dimensions.ai/details/publication/pub.1045568219
108 https://doi.org/10.1155/2009/361564
109 rdf:type schema:CreativeWork
110 grid-institutes:grid.411049.9 schema:alternateName Department of Physics, Faculty of Arts and Sciences, Ondokuz Mayıs University, 55200, Samsun, Turkey
111 schema:name Department of Physics, Faculty of Arts and Sciences, Ondokuz Mayıs University, 55200, Samsun, Turkey
112 rdf:type schema:Organization
113 grid-institutes:grid.411739.9 schema:alternateName Department of Physics, Faculty of Sciences, Erciyes University, 38039, Kayseri, Turkey
114 schema:name Department of Physics, Faculty of Sciences, Erciyes University, 38039, Kayseri, Turkey
115 rdf:type schema:Organization
 




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


...