Crystal structure of 2-amino-3-methylpyridinium ortho-phthalate View Full Text


Ontology type: schema:ScholarlyArticle     


Article Info

DATE

2001-04

AUTHORS

Zhi Min Jin, Yuan Jiang Pan, Mao Lin Hu, Shen Liang

ABSTRACT

A new crystal of 2-amino-3-methylpyridinium ortho-phthalate has been prepared and characterized by X-ray crystallography. The salt crystallizes in the monoclinic space group P21/c with a = 11.015(2) Å, b = 11.057(2) Å, c = 15.767(2) Å, α = 90.00°, β = 96.220(10)°, γ = 90.00°, V = 1909.0(5) Å3, Z = 4. In the cell unit, the phthalate anion is linked with two pyridinium cations by NHO hydrogen bond on both sites of annular and exocyclic nitrogen atoms. The two pyridinium cations are arranged in a face-to-face pattern with a dihedral angle of 7.3° and a shortest aspectant distance of 3.4(1) Å between them, indicating the existence of π–π interaction. The C(5) atom is an electron donating center. The exocyclic N atom is an electron receiving center, which is consistent with features of imino resonance evidenced by bond lengths and angles. In the cell unit, two entities of pyridinium cation are aligned with each other in a face-to-face manner of electron receiving to donating center. More... »

PAGES

191-195

References to SciGraph publications

Identifiers

URI

http://scigraph.springernature.com/pub.10.1023/a:1014391031842

DOI

http://dx.doi.org/10.1023/a:1014391031842

DIMENSIONS

https://app.dimensions.ai/details/publication/pub.1012158096


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/2008/0202", 
        "inDefinedTermSet": "http://purl.org/au-research/vocabulary/anzsrc-for/2008/", 
        "name": "Atomic, Molecular, Nuclear, Particle and Plasma Physics", 
        "type": "DefinedTerm"
      }, 
      {
        "id": "http://purl.org/au-research/vocabulary/anzsrc-for/2008/02", 
        "inDefinedTermSet": "http://purl.org/au-research/vocabulary/anzsrc-for/2008/", 
        "name": "Physical Sciences", 
        "type": "DefinedTerm"
      }
    ], 
    "author": [
      {
        "affiliation": {
          "alternateName": "Zhejiang University of Technology", 
          "id": "https://www.grid.ac/institutes/grid.469325.f", 
          "name": [
            "College of Pharmaceutical Science, Zhejiang University of Technology, 310014, Hangzhou, People's Republic of China"
          ], 
          "type": "Organization"
        }, 
        "familyName": "Jin", 
        "givenName": "Zhi Min", 
        "id": "sg:person.0613753770.88", 
        "sameAs": [
          "https://app.dimensions.ai/discover/publication?and_facet_researcher=ur.0613753770.88"
        ], 
        "type": "Person"
      }, 
      {
        "affiliation": {
          "alternateName": "Zhejiang University", 
          "id": "https://www.grid.ac/institutes/grid.13402.34", 
          "name": [
            "Department of Chemistry, Zhejiang University, 310027, Hangzhou, People's Republic of China"
          ], 
          "type": "Organization"
        }, 
        "familyName": "Pan", 
        "givenName": "Yuan Jiang", 
        "id": "sg:person.0646446001.43", 
        "sameAs": [
          "https://app.dimensions.ai/discover/publication?and_facet_researcher=ur.0646446001.43"
        ], 
        "type": "Person"
      }, 
      {
        "affiliation": {
          "alternateName": "Wenzhou University", 
          "id": "https://www.grid.ac/institutes/grid.412899.f", 
          "name": [
            "Department of Chemistry, Wenzhou Normal College, 325003, Wenzhou, Zhejiang, People's Republic of China"
          ], 
          "type": "Organization"
        }, 
        "familyName": "Hu", 
        "givenName": "Mao Lin", 
        "id": "sg:person.01357055266.93", 
        "sameAs": [
          "https://app.dimensions.ai/discover/publication?and_facet_researcher=ur.01357055266.93"
        ], 
        "type": "Person"
      }, 
      {
        "affiliation": {
          "name": [
            "Hangzhou Teacher College, 310012, Hangzhou, People's Republic of China"
          ], 
          "type": "Organization"
        }, 
        "familyName": "Liang", 
        "givenName": "Shen", 
        "type": "Person"
      }
    ], 
    "citation": [
      {
        "id": "https://doi.org/10.1107/s0567740880003950", 
        "sameAs": [
          "https://app.dimensions.ai/details/publication/pub.1002696874"
        ], 
        "type": "CreativeWork"
      }, 
      {
        "id": "sg:pub.10.1023/a:1009521729823", 
        "sameAs": [
          "https://app.dimensions.ai/details/publication/pub.1003310609", 
          "https://doi.org/10.1023/a:1009521729823"
        ], 
        "type": "CreativeWork"
      }, 
      {
        "id": "https://doi.org/10.1016/0584-8539(86)80213-6", 
        "sameAs": [
          "https://app.dimensions.ai/details/publication/pub.1007624409"
        ], 
        "type": "CreativeWork"
      }, 
      {
        "id": "https://doi.org/10.1002/anie.198611271", 
        "sameAs": [
          "https://app.dimensions.ai/details/publication/pub.1023454197"
        ], 
        "type": "CreativeWork"
      }, 
      {
        "id": "https://doi.org/10.1246/bcsj.63.971", 
        "sameAs": [
          "https://app.dimensions.ai/details/publication/pub.1025667552"
        ], 
        "type": "CreativeWork"
      }, 
      {
        "id": "https://doi.org/10.1107/s0108270187009879", 
        "sameAs": [
          "https://app.dimensions.ai/details/publication/pub.1031262661"
        ], 
        "type": "CreativeWork"
      }, 
      {
        "id": "sg:pub.10.1023/a:1009587232221", 
        "sameAs": [
          "https://app.dimensions.ai/details/publication/pub.1039414790", 
          "https://doi.org/10.1023/a:1009587232221"
        ], 
        "type": "CreativeWork"
      }, 
      {
        "id": "https://doi.org/10.1021/ja00215a021", 
        "sameAs": [
          "https://app.dimensions.ai/details/publication/pub.1055714849"
        ], 
        "type": "CreativeWork"
      }, 
      {
        "id": "https://doi.org/10.1021/ja00227a045", 
        "sameAs": [
          "https://app.dimensions.ai/details/publication/pub.1055715899"
        ], 
        "type": "CreativeWork"
      }
    ], 
    "datePublished": "2001-04", 
    "datePublishedReg": "2001-04-01", 
    "description": "A new crystal of 2-amino-3-methylpyridinium ortho-phthalate has been prepared and characterized by X-ray crystallography. The salt crystallizes in the monoclinic space group P21/c with a = 11.015(2) \u00c5, b = 11.057(2) \u00c5, c = 15.767(2) \u00c5, \u03b1 = 90.00\u00b0, \u03b2 = 96.220(10)\u00b0, \u03b3 = 90.00\u00b0, V = 1909.0(5) \u00c53, Z = 4. In the cell unit, the phthalate anion is linked with two pyridinium cations by NHO hydrogen bond on both sites of annular and exocyclic nitrogen atoms. The two pyridinium cations are arranged in a face-to-face pattern with a dihedral angle of 7.3\u00b0 and a shortest aspectant distance of 3.4(1) \u00c5 between them, indicating the existence of \u03c0\u2013\u03c0 interaction. The C(5) atom is an electron donating center. The exocyclic N atom is an electron receiving center, which is consistent with features of imino resonance evidenced by bond lengths and angles. In the cell unit, two entities of pyridinium cation are aligned with each other in a face-to-face manner of electron receiving to donating center.", 
    "genre": "research_article", 
    "id": "sg:pub.10.1023/a:1014391031842", 
    "inLanguage": [
      "en"
    ], 
    "isAccessibleForFree": false, 
    "isPartOf": [
      {
        "id": "sg:journal.1093566", 
        "issn": [
          "1074-1542", 
          "1572-8854"
        ], 
        "name": "Journal of Chemical Crystallography", 
        "type": "Periodical"
      }, 
      {
        "issueNumber": "4", 
        "type": "PublicationIssue"
      }, 
      {
        "type": "PublicationVolume", 
        "volumeNumber": "31"
      }
    ], 
    "name": "Crystal structure of 2-amino-3-methylpyridinium ortho-phthalate", 
    "pagination": "191-195", 
    "productId": [
      {
        "name": "readcube_id", 
        "type": "PropertyValue", 
        "value": [
          "39ec973dff5d8ea69fb82d5f33af1a0ee6bb3ed644e32dddbf58de9dc6bb4ba2"
        ]
      }, 
      {
        "name": "doi", 
        "type": "PropertyValue", 
        "value": [
          "10.1023/a:1014391031842"
        ]
      }, 
      {
        "name": "dimensions_id", 
        "type": "PropertyValue", 
        "value": [
          "pub.1012158096"
        ]
      }
    ], 
    "sameAs": [
      "https://doi.org/10.1023/a:1014391031842", 
      "https://app.dimensions.ai/details/publication/pub.1012158096"
    ], 
    "sdDataset": "articles", 
    "sdDatePublished": "2019-04-10T15:49", 
    "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/v90/0000000001_0000000264/records_8664_00000504.jsonl", 
    "type": "ScholarlyArticle", 
    "url": "http://link.springer.com/10.1023/A:1014391031842"
  }
]
 

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.10.1023/a:1014391031842'

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

curl -H 'Accept: application/n-triples' 'https://scigraph.springernature.com/pub.10.1023/a:1014391031842'

Turtle is a human-readable linked data format.

curl -H 'Accept: text/turtle' 'https://scigraph.springernature.com/pub.10.1023/a:1014391031842'

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

curl -H 'Accept: application/rdf+xml' 'https://scigraph.springernature.com/pub.10.1023/a:1014391031842'


 

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

118 TRIPLES      21 PREDICATES      36 URIs      19 LITERALS      7 BLANK NODES

Subject Predicate Object
1 sg:pub.10.1023/a:1014391031842 schema:about anzsrc-for:02
2 anzsrc-for:0202
3 schema:author Nb116bd954d654240af3b35ae0fe84175
4 schema:citation sg:pub.10.1023/a:1009521729823
5 sg:pub.10.1023/a:1009587232221
6 https://doi.org/10.1002/anie.198611271
7 https://doi.org/10.1016/0584-8539(86)80213-6
8 https://doi.org/10.1021/ja00215a021
9 https://doi.org/10.1021/ja00227a045
10 https://doi.org/10.1107/s0108270187009879
11 https://doi.org/10.1107/s0567740880003950
12 https://doi.org/10.1246/bcsj.63.971
13 schema:datePublished 2001-04
14 schema:datePublishedReg 2001-04-01
15 schema:description A new crystal of 2-amino-3-methylpyridinium ortho-phthalate has been prepared and characterized by X-ray crystallography. The salt crystallizes in the monoclinic space group P21/c with a = 11.015(2) Å, b = 11.057(2) Å, c = 15.767(2) Å, α = 90.00°, β = 96.220(10)°, γ = 90.00°, V = 1909.0(5) Å3, Z = 4. In the cell unit, the phthalate anion is linked with two pyridinium cations by NHO hydrogen bond on both sites of annular and exocyclic nitrogen atoms. The two pyridinium cations are arranged in a face-to-face pattern with a dihedral angle of 7.3° and a shortest aspectant distance of 3.4(1) Å between them, indicating the existence of π–π interaction. The C(5) atom is an electron donating center. The exocyclic N atom is an electron receiving center, which is consistent with features of imino resonance evidenced by bond lengths and angles. In the cell unit, two entities of pyridinium cation are aligned with each other in a face-to-face manner of electron receiving to donating center.
16 schema:genre research_article
17 schema:inLanguage en
18 schema:isAccessibleForFree false
19 schema:isPartOf N421f6e0105c34f3c8333575f7c37c8eb
20 N75a652a7b5034da78121411c7543a535
21 sg:journal.1093566
22 schema:name Crystal structure of 2-amino-3-methylpyridinium ortho-phthalate
23 schema:pagination 191-195
24 schema:productId N58bbf3f0a57b45ea90fb1a84057b22eb
25 Nd03776f9e38b44d8a626bc7fc62f1e47
26 Ndd1c4130e401485aaee4272e0c101f7c
27 schema:sameAs https://app.dimensions.ai/details/publication/pub.1012158096
28 https://doi.org/10.1023/a:1014391031842
29 schema:sdDatePublished 2019-04-10T15:49
30 schema:sdLicense https://scigraph.springernature.com/explorer/license/
31 schema:sdPublisher N835ca6f0c68e45548a5b3c9a34bc0cbf
32 schema:url http://link.springer.com/10.1023/A:1014391031842
33 sgo:license sg:explorer/license/
34 sgo:sdDataset articles
35 rdf:type schema:ScholarlyArticle
36 N2a9b760963a94a6aa48a4b3a018e94d5 rdf:first N49f481a5fcff43eba305929ee2098676
37 rdf:rest rdf:nil
38 N2b7489d18d5341088fb559c416386997 rdf:first sg:person.0646446001.43
39 rdf:rest Ne9a1eefbc5cd429f8db1fc737ec64e1a
40 N421f6e0105c34f3c8333575f7c37c8eb schema:volumeNumber 31
41 rdf:type schema:PublicationVolume
42 N49f481a5fcff43eba305929ee2098676 schema:affiliation N7b7e5ef35ac04cd6a50c273c4eb9c54c
43 schema:familyName Liang
44 schema:givenName Shen
45 rdf:type schema:Person
46 N58bbf3f0a57b45ea90fb1a84057b22eb schema:name doi
47 schema:value 10.1023/a:1014391031842
48 rdf:type schema:PropertyValue
49 N75a652a7b5034da78121411c7543a535 schema:issueNumber 4
50 rdf:type schema:PublicationIssue
51 N7b7e5ef35ac04cd6a50c273c4eb9c54c schema:name Hangzhou Teacher College, 310012, Hangzhou, People's Republic of China
52 rdf:type schema:Organization
53 N835ca6f0c68e45548a5b3c9a34bc0cbf schema:name Springer Nature - SN SciGraph project
54 rdf:type schema:Organization
55 Nb116bd954d654240af3b35ae0fe84175 rdf:first sg:person.0613753770.88
56 rdf:rest N2b7489d18d5341088fb559c416386997
57 Nd03776f9e38b44d8a626bc7fc62f1e47 schema:name dimensions_id
58 schema:value pub.1012158096
59 rdf:type schema:PropertyValue
60 Ndd1c4130e401485aaee4272e0c101f7c schema:name readcube_id
61 schema:value 39ec973dff5d8ea69fb82d5f33af1a0ee6bb3ed644e32dddbf58de9dc6bb4ba2
62 rdf:type schema:PropertyValue
63 Ne9a1eefbc5cd429f8db1fc737ec64e1a rdf:first sg:person.01357055266.93
64 rdf:rest N2a9b760963a94a6aa48a4b3a018e94d5
65 anzsrc-for:02 schema:inDefinedTermSet anzsrc-for:
66 schema:name Physical Sciences
67 rdf:type schema:DefinedTerm
68 anzsrc-for:0202 schema:inDefinedTermSet anzsrc-for:
69 schema:name Atomic, Molecular, Nuclear, Particle and Plasma Physics
70 rdf:type schema:DefinedTerm
71 sg:journal.1093566 schema:issn 1074-1542
72 1572-8854
73 schema:name Journal of Chemical Crystallography
74 rdf:type schema:Periodical
75 sg:person.01357055266.93 schema:affiliation https://www.grid.ac/institutes/grid.412899.f
76 schema:familyName Hu
77 schema:givenName Mao Lin
78 schema:sameAs https://app.dimensions.ai/discover/publication?and_facet_researcher=ur.01357055266.93
79 rdf:type schema:Person
80 sg:person.0613753770.88 schema:affiliation https://www.grid.ac/institutes/grid.469325.f
81 schema:familyName Jin
82 schema:givenName Zhi Min
83 schema:sameAs https://app.dimensions.ai/discover/publication?and_facet_researcher=ur.0613753770.88
84 rdf:type schema:Person
85 sg:person.0646446001.43 schema:affiliation https://www.grid.ac/institutes/grid.13402.34
86 schema:familyName Pan
87 schema:givenName Yuan Jiang
88 schema:sameAs https://app.dimensions.ai/discover/publication?and_facet_researcher=ur.0646446001.43
89 rdf:type schema:Person
90 sg:pub.10.1023/a:1009521729823 schema:sameAs https://app.dimensions.ai/details/publication/pub.1003310609
91 https://doi.org/10.1023/a:1009521729823
92 rdf:type schema:CreativeWork
93 sg:pub.10.1023/a:1009587232221 schema:sameAs https://app.dimensions.ai/details/publication/pub.1039414790
94 https://doi.org/10.1023/a:1009587232221
95 rdf:type schema:CreativeWork
96 https://doi.org/10.1002/anie.198611271 schema:sameAs https://app.dimensions.ai/details/publication/pub.1023454197
97 rdf:type schema:CreativeWork
98 https://doi.org/10.1016/0584-8539(86)80213-6 schema:sameAs https://app.dimensions.ai/details/publication/pub.1007624409
99 rdf:type schema:CreativeWork
100 https://doi.org/10.1021/ja00215a021 schema:sameAs https://app.dimensions.ai/details/publication/pub.1055714849
101 rdf:type schema:CreativeWork
102 https://doi.org/10.1021/ja00227a045 schema:sameAs https://app.dimensions.ai/details/publication/pub.1055715899
103 rdf:type schema:CreativeWork
104 https://doi.org/10.1107/s0108270187009879 schema:sameAs https://app.dimensions.ai/details/publication/pub.1031262661
105 rdf:type schema:CreativeWork
106 https://doi.org/10.1107/s0567740880003950 schema:sameAs https://app.dimensions.ai/details/publication/pub.1002696874
107 rdf:type schema:CreativeWork
108 https://doi.org/10.1246/bcsj.63.971 schema:sameAs https://app.dimensions.ai/details/publication/pub.1025667552
109 rdf:type schema:CreativeWork
110 https://www.grid.ac/institutes/grid.13402.34 schema:alternateName Zhejiang University
111 schema:name Department of Chemistry, Zhejiang University, 310027, Hangzhou, People's Republic of China
112 rdf:type schema:Organization
113 https://www.grid.ac/institutes/grid.412899.f schema:alternateName Wenzhou University
114 schema:name Department of Chemistry, Wenzhou Normal College, 325003, Wenzhou, Zhejiang, People's Republic of China
115 rdf:type schema:Organization
116 https://www.grid.ac/institutes/grid.469325.f schema:alternateName Zhejiang University of Technology
117 schema:name College of Pharmaceutical Science, Zhejiang University of Technology, 310014, Hangzhou, People's Republic of China
118 rdf:type schema:Organization
 




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


...