Relationship between the structure and luminescent properties for two crystal modifications of N-butyl-2-cyano-3-[4-(dimethylamino)phenyl]-2-propenamide View Full Text


Ontology type: schema:ScholarlyArticle     


Article Info

DATE

2013-09-17

AUTHORS

Ya. A. Mikhlina, B. M. Bolotin, L. G. Kuz’mina

ABSTRACT

Two crystal modifications (1o and 1y) of N-butyl-2-cyano-3-[4-(dimethylamino)phenyl]-2-propenamide, which differ in the color of crystals and the color of luminescence, have been studied by X-ray diffraction and spectral-luminescence methods. The corresponding bond lengths and bond angles in the molecules of two crystal modifications are virtually identical. In both crystal structures, there are two systems of weak intermolecular interactions: π-stacking interactions and -CN…H-N hydrogen bonds involving nitrile and NH groups. In the crystal structures, two hydrogen bonds connect pairs of molecules into centrosymmetric dimers. The N…H distances are 2.21 and 2.41 Å in 1o and 1y, respectively. The interplanar distances in the π-stacked systems of 1o and 1y are 3.33 and 3.41 Å, respectively. Both types of weak interactions are stronger in 1o than in 1y, which accounts for a larger shift of absorption and luminescence bands for the former compound. More... »

PAGES

687-691

References to SciGraph publications

Identifiers

URI

http://scigraph.springernature.com/pub.10.1134/s1063774513050076

DOI

http://dx.doi.org/10.1134/s1063774513050076

DIMENSIONS

https://app.dimensions.ai/details/publication/pub.1049552779


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": "Research Institute of Chemical Reagents and High Purity Substances, ul. Bogorodskii Val 3, 107076, Moscow, Russia", 
          "id": "http://www.grid.ac/institutes/None", 
          "name": [
            "Research Institute of Chemical Reagents and High Purity Substances, ul. Bogorodskii Val 3, 107076, Moscow, Russia"
          ], 
          "type": "Organization"
        }, 
        "familyName": "Mikhlina", 
        "givenName": "Ya. A.", 
        "id": "sg:person.012274356460.95", 
        "sameAs": [
          "https://app.dimensions.ai/discover/publication?and_facet_researcher=ur.012274356460.95"
        ], 
        "type": "Person"
      }, 
      {
        "affiliation": {
          "alternateName": "Research Institute of Chemical Reagents and High Purity Substances, ul. Bogorodskii Val 3, 107076, Moscow, Russia", 
          "id": "http://www.grid.ac/institutes/None", 
          "name": [
            "Research Institute of Chemical Reagents and High Purity Substances, ul. Bogorodskii Val 3, 107076, Moscow, Russia"
          ], 
          "type": "Organization"
        }, 
        "familyName": "Bolotin", 
        "givenName": "B. M.", 
        "id": "sg:person.014177376371.41", 
        "sameAs": [
          "https://app.dimensions.ai/discover/publication?and_facet_researcher=ur.014177376371.41"
        ], 
        "type": "Person"
      }, 
      {
        "affiliation": {
          "alternateName": "Kurnakov Institute of General and Inorganic Chemistry, Russian Academy of Sciences, Leninskii pr. 31, 119991, Moscow, Russia", 
          "id": "http://www.grid.ac/institutes/grid.435216.7", 
          "name": [
            "Kurnakov Institute of General and Inorganic Chemistry, Russian Academy of Sciences, Leninskii pr. 31, 119991, Moscow, Russia"
          ], 
          "type": "Organization"
        }, 
        "familyName": "Kuz\u2019mina", 
        "givenName": "L. G.", 
        "id": "sg:person.01236647726.42", 
        "sameAs": [
          "https://app.dimensions.ai/discover/publication?and_facet_researcher=ur.01236647726.42"
        ], 
        "type": "Person"
      }
    ], 
    "citation": [
      {
        "id": "sg:pub.10.1134/s106377451302017x", 
        "sameAs": [
          "https://app.dimensions.ai/details/publication/pub.1016745059", 
          "https://doi.org/10.1134/s106377451302017x"
        ], 
        "type": "CreativeWork"
      }
    ], 
    "datePublished": "2013-09-17", 
    "datePublishedReg": "2013-09-17", 
    "description": "Two crystal modifications (1o and 1y) of N-butyl-2-cyano-3-[4-(dimethylamino)phenyl]-2-propenamide, which differ in the color of crystals and the color of luminescence, have been studied by X-ray diffraction and spectral-luminescence methods. The corresponding bond lengths and bond angles in the molecules of two crystal modifications are virtually identical. In both crystal structures, there are two systems of weak intermolecular interactions: \u03c0-stacking interactions and -CN\u2026H-N hydrogen bonds involving nitrile and NH groups. In the crystal structures, two hydrogen bonds connect pairs of molecules into centrosymmetric dimers. The N\u2026H distances are 2.21 and 2.41 \u00c5 in 1o and 1y, respectively. The interplanar distances in the \u03c0-stacked systems of 1o and 1y are 3.33 and 3.41 \u00c5, respectively. Both types of weak interactions are stronger in 1o than in 1y, which accounts for a larger shift of absorption and luminescence bands for the former compound.", 
    "genre": "article", 
    "id": "sg:pub.10.1134/s1063774513050076", 
    "inLanguage": "en", 
    "isAccessibleForFree": false, 
    "isPartOf": [
      {
        "id": "sg:journal.1295066", 
        "issn": [
          "0023-4761", 
          "0038-5638"
        ], 
        "name": "Crystallography Reports", 
        "publisher": "Pleiades Publishing", 
        "type": "Periodical"
      }, 
      {
        "issueNumber": "5", 
        "type": "PublicationIssue"
      }, 
      {
        "type": "PublicationVolume", 
        "volumeNumber": "58"
      }
    ], 
    "keywords": [
      "crystal modifications", 
      "hydrogen bonds", 
      "crystal structure", 
      "weak intermolecular interactions", 
      "corresponding bond lengths", 
      "pairs of molecules", 
      "spectral luminescence methods", 
      "luminescent properties", 
      "intermolecular interactions", 
      "color of crystals", 
      "bond lengths", 
      "bond angles", 
      "NH group", 
      "centrosymmetric dimers", 
      "ray diffraction", 
      "color of luminescence", 
      "former compound", 
      "weak interactions", 
      "bonds", 
      "luminescence band", 
      "molecules", 
      "propenamide", 
      "large shifts", 
      "structure", 
      "nitriles", 
      "modification", 
      "diffraction", 
      "luminescence", 
      "compounds", 
      "interaction", 
      "dimer", 
      "interplanar", 
      "crystals", 
      "absorption", 
      "properties", 
      "color", 
      "band", 
      "shift", 
      "method", 
      "angle", 
      "system", 
      "pairs", 
      "group", 
      "length", 
      "distance", 
      "types", 
      "relationship"
    ], 
    "name": "Relationship between the structure and luminescent properties for two crystal modifications of N-butyl-2-cyano-3-[4-(dimethylamino)phenyl]-2-propenamide", 
    "pagination": "687-691", 
    "productId": [
      {
        "name": "dimensions_id", 
        "type": "PropertyValue", 
        "value": [
          "pub.1049552779"
        ]
      }, 
      {
        "name": "doi", 
        "type": "PropertyValue", 
        "value": [
          "10.1134/s1063774513050076"
        ]
      }
    ], 
    "sameAs": [
      "https://doi.org/10.1134/s1063774513050076", 
      "https://app.dimensions.ai/details/publication/pub.1049552779"
    ], 
    "sdDataset": "articles", 
    "sdDatePublished": "2022-05-20T07:28", 
    "sdLicense": "https://scigraph.springernature.com/explorer/license/", 
    "sdPublisher": {
      "name": "Springer Nature - SN SciGraph project", 
      "type": "Organization"
    }, 
    "sdSource": "s3://com-springernature-scigraph/baseset/20220519/entities/gbq_results/article/article_584.jsonl", 
    "type": "ScholarlyArticle", 
    "url": "https://doi.org/10.1134/s1063774513050076"
  }
]
 

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/s1063774513050076'

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/s1063774513050076'

Turtle is a human-readable linked data format.

curl -H 'Accept: text/turtle' 'https://scigraph.springernature.com/pub.10.1134/s1063774513050076'

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

curl -H 'Accept: application/rdf+xml' 'https://scigraph.springernature.com/pub.10.1134/s1063774513050076'


 

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

126 TRIPLES      22 PREDICATES      73 URIs      64 LITERALS      6 BLANK NODES

Subject Predicate Object
1 sg:pub.10.1134/s1063774513050076 schema:about anzsrc-for:03
2 anzsrc-for:0306
3 schema:author N28a81e2c268143f48fab9d078a9347d1
4 schema:citation sg:pub.10.1134/s106377451302017x
5 schema:datePublished 2013-09-17
6 schema:datePublishedReg 2013-09-17
7 schema:description Two crystal modifications (1o and 1y) of N-butyl-2-cyano-3-[4-(dimethylamino)phenyl]-2-propenamide, which differ in the color of crystals and the color of luminescence, have been studied by X-ray diffraction and spectral-luminescence methods. The corresponding bond lengths and bond angles in the molecules of two crystal modifications are virtually identical. In both crystal structures, there are two systems of weak intermolecular interactions: π-stacking interactions and -CN…H-N hydrogen bonds involving nitrile and NH groups. In the crystal structures, two hydrogen bonds connect pairs of molecules into centrosymmetric dimers. The N…H distances are 2.21 and 2.41 Å in 1o and 1y, respectively. The interplanar distances in the π-stacked systems of 1o and 1y are 3.33 and 3.41 Å, respectively. Both types of weak interactions are stronger in 1o than in 1y, which accounts for a larger shift of absorption and luminescence bands for the former compound.
8 schema:genre article
9 schema:inLanguage en
10 schema:isAccessibleForFree false
11 schema:isPartOf N25b0fcb8e1f54c7c9d58bd6ae792bed2
12 N3112e2d6ca8b498bb47c4804fd73d677
13 sg:journal.1295066
14 schema:keywords NH group
15 absorption
16 angle
17 band
18 bond angles
19 bond lengths
20 bonds
21 centrosymmetric dimers
22 color
23 color of crystals
24 color of luminescence
25 compounds
26 corresponding bond lengths
27 crystal modifications
28 crystal structure
29 crystals
30 diffraction
31 dimer
32 distance
33 former compound
34 group
35 hydrogen bonds
36 interaction
37 intermolecular interactions
38 interplanar
39 large shifts
40 length
41 luminescence
42 luminescence band
43 luminescent properties
44 method
45 modification
46 molecules
47 nitriles
48 pairs
49 pairs of molecules
50 propenamide
51 properties
52 ray diffraction
53 relationship
54 shift
55 spectral luminescence methods
56 structure
57 system
58 types
59 weak interactions
60 weak intermolecular interactions
61 schema:name Relationship between the structure and luminescent properties for two crystal modifications of N-butyl-2-cyano-3-[4-(dimethylamino)phenyl]-2-propenamide
62 schema:pagination 687-691
63 schema:productId N7dcbfadec47e46f48f882023bf7b8dc2
64 Ncf2fceabcdf04f338b954b2aa2fd5fe8
65 schema:sameAs https://app.dimensions.ai/details/publication/pub.1049552779
66 https://doi.org/10.1134/s1063774513050076
67 schema:sdDatePublished 2022-05-20T07:28
68 schema:sdLicense https://scigraph.springernature.com/explorer/license/
69 schema:sdPublisher N9a3fd0252c084e7cb79b0e6bb9f89cdf
70 schema:url https://doi.org/10.1134/s1063774513050076
71 sgo:license sg:explorer/license/
72 sgo:sdDataset articles
73 rdf:type schema:ScholarlyArticle
74 N25b0fcb8e1f54c7c9d58bd6ae792bed2 schema:volumeNumber 58
75 rdf:type schema:PublicationVolume
76 N28a81e2c268143f48fab9d078a9347d1 rdf:first sg:person.012274356460.95
77 rdf:rest N76e87786141c4052bfa14486cb6ce7e9
78 N3112e2d6ca8b498bb47c4804fd73d677 schema:issueNumber 5
79 rdf:type schema:PublicationIssue
80 N76e87786141c4052bfa14486cb6ce7e9 rdf:first sg:person.014177376371.41
81 rdf:rest Nf64e7a96d8b1408191985dfc22eb3d7a
82 N7dcbfadec47e46f48f882023bf7b8dc2 schema:name dimensions_id
83 schema:value pub.1049552779
84 rdf:type schema:PropertyValue
85 N9a3fd0252c084e7cb79b0e6bb9f89cdf schema:name Springer Nature - SN SciGraph project
86 rdf:type schema:Organization
87 Ncf2fceabcdf04f338b954b2aa2fd5fe8 schema:name doi
88 schema:value 10.1134/s1063774513050076
89 rdf:type schema:PropertyValue
90 Nf64e7a96d8b1408191985dfc22eb3d7a rdf:first sg:person.01236647726.42
91 rdf:rest rdf:nil
92 anzsrc-for:03 schema:inDefinedTermSet anzsrc-for:
93 schema:name Chemical Sciences
94 rdf:type schema:DefinedTerm
95 anzsrc-for:0306 schema:inDefinedTermSet anzsrc-for:
96 schema:name Physical Chemistry (incl. Structural)
97 rdf:type schema:DefinedTerm
98 sg:journal.1295066 schema:issn 0023-4761
99 0038-5638
100 schema:name Crystallography Reports
101 schema:publisher Pleiades Publishing
102 rdf:type schema:Periodical
103 sg:person.012274356460.95 schema:affiliation grid-institutes:None
104 schema:familyName Mikhlina
105 schema:givenName Ya. A.
106 schema:sameAs https://app.dimensions.ai/discover/publication?and_facet_researcher=ur.012274356460.95
107 rdf:type schema:Person
108 sg:person.01236647726.42 schema:affiliation grid-institutes:grid.435216.7
109 schema:familyName Kuz’mina
110 schema:givenName L. G.
111 schema:sameAs https://app.dimensions.ai/discover/publication?and_facet_researcher=ur.01236647726.42
112 rdf:type schema:Person
113 sg:person.014177376371.41 schema:affiliation grid-institutes:None
114 schema:familyName Bolotin
115 schema:givenName B. M.
116 schema:sameAs https://app.dimensions.ai/discover/publication?and_facet_researcher=ur.014177376371.41
117 rdf:type schema:Person
118 sg:pub.10.1134/s106377451302017x schema:sameAs https://app.dimensions.ai/details/publication/pub.1016745059
119 https://doi.org/10.1134/s106377451302017x
120 rdf:type schema:CreativeWork
121 grid-institutes:None schema:alternateName Research Institute of Chemical Reagents and High Purity Substances, ul. Bogorodskii Val 3, 107076, Moscow, Russia
122 schema:name Research Institute of Chemical Reagents and High Purity Substances, ul. Bogorodskii Val 3, 107076, Moscow, Russia
123 rdf:type schema:Organization
124 grid-institutes:grid.435216.7 schema:alternateName Kurnakov Institute of General and Inorganic Chemistry, Russian Academy of Sciences, Leninskii pr. 31, 119991, Moscow, Russia
125 schema:name Kurnakov Institute of General and Inorganic Chemistry, Russian Academy of Sciences, Leninskii pr. 31, 119991, Moscow, Russia
126 rdf:type schema:Organization
 




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


...