Crystal and molecular structure of iodoprotatrane: Tris(2-hydroxyethyl)ammonium iodide View Full Text


Ontology type: schema:ScholarlyArticle     


Article Info

DATE

2014-01

AUTHORS

M. G. Voronkov, A. A. Korlyukov, È. A. Zel’bst, V. S. Fundamenskii, X. Borrmann, D. E. Arkhipov, Ya. V. Agapova, T. A. Kochina

ABSTRACT

By X-ray diffraction the crystal and molecular structure of iodoprotatrane (tris(2-hydroxyethyl)ammonium iodide I[HN(CH2CH2OH)3]+ (IP) at 120 K and 293 K is determined. The IP cation, as in all protatranes, has the endo conformation. The N-H bond is surrounded by three CH2CH2OH groups. The stability of this configuration is explained by the intramolecular trifurcated inductive interaction with three oxygen atoms through the space of the nitrogen atom. In the IP crystal packing, each iodine anion is linked by three strong OH...I (2.63 Å) and three weak I...H (3.13 Å) hydrogen bonds with six cations from the CH2N group. This indicates a greater nucleophilicity of the iodine atom. More... »

PAGES

120-124

Identifiers

URI

http://scigraph.springernature.com/pub.10.1134/s0022476614010193

DOI

http://dx.doi.org/10.1134/s0022476614010193

DIMENSIONS

https://app.dimensions.ai/details/publication/pub.1026943591


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/2008/0302", 
        "inDefinedTermSet": "http://purl.org/au-research/vocabulary/anzsrc-for/2008/", 
        "name": "Inorganic Chemistry", 
        "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": "A. V. Grebenshchikov Institute of Silicate Chemistry, Russian Academy of Sciences, St. Petersburg, Russia", 
          "id": "http://www.grid.ac/institutes/grid.4886.2", 
          "name": [
            "A. V. Grebenshchikov Institute of Silicate Chemistry, Russian Academy of Sciences, St. Petersburg, Russia"
          ], 
          "type": "Organization"
        }, 
        "familyName": "Voronkov", 
        "givenName": "M. G.", 
        "id": "sg:person.016410733065.70", 
        "sameAs": [
          "https://app.dimensions.ai/discover/publication?and_facet_researcher=ur.016410733065.70"
        ], 
        "type": "Person"
      }, 
      {
        "affiliation": {
          "alternateName": "A. N. Nesmeyanov Institute of Organoelement Compounds, Russian Academy of Sciences, Moscow, Russia", 
          "id": "http://www.grid.ac/institutes/grid.431939.5", 
          "name": [
            "A. N. Nesmeyanov Institute of Organoelement Compounds, Russian Academy of Sciences, Moscow, Russia"
          ], 
          "type": "Organization"
        }, 
        "familyName": "Korlyukov", 
        "givenName": "A. A.", 
        "id": "sg:person.01050521013.60", 
        "sameAs": [
          "https://app.dimensions.ai/discover/publication?and_facet_researcher=ur.01050521013.60"
        ], 
        "type": "Person"
      }, 
      {
        "affiliation": {
          "alternateName": "East Siberian State Academy of Education, Irkutsk, Russia", 
          "id": "http://www.grid.ac/institutes/None", 
          "name": [
            "East Siberian State Academy of Education, Irkutsk, Russia"
          ], 
          "type": "Organization"
        }, 
        "familyName": "Zel\u2019bst", 
        "givenName": "\u00c8. A.", 
        "id": "sg:person.015556465257.91", 
        "sameAs": [
          "https://app.dimensions.ai/discover/publication?and_facet_researcher=ur.015556465257.91"
        ], 
        "type": "Person"
      }, 
      {
        "affiliation": {
          "alternateName": "A. V. Grebenshchikov Institute of Silicate Chemistry, Russian Academy of Sciences, St. Petersburg, Russia", 
          "id": "http://www.grid.ac/institutes/grid.4886.2", 
          "name": [
            "A. V. Grebenshchikov Institute of Silicate Chemistry, Russian Academy of Sciences, St. Petersburg, Russia"
          ], 
          "type": "Organization"
        }, 
        "familyName": "Fundamenskii", 
        "givenName": "V. S.", 
        "id": "sg:person.016610274245.38", 
        "sameAs": [
          "https://app.dimensions.ai/discover/publication?and_facet_researcher=ur.016610274245.38"
        ], 
        "type": "Person"
      }, 
      {
        "affiliation": {
          "alternateName": "Max Planck Institute for the Chemical Physics of Solids, Dresden, Germany", 
          "id": "http://www.grid.ac/institutes/grid.419507.e", 
          "name": [
            "Max Planck Institute for the Chemical Physics of Solids, Dresden, Germany"
          ], 
          "type": "Organization"
        }, 
        "familyName": "Borrmann", 
        "givenName": "X.", 
        "type": "Person"
      }, 
      {
        "affiliation": {
          "alternateName": "A. N. Nesmeyanov Institute of Organoelement Compounds, Russian Academy of Sciences, Moscow, Russia", 
          "id": "http://www.grid.ac/institutes/grid.431939.5", 
          "name": [
            "A. N. Nesmeyanov Institute of Organoelement Compounds, Russian Academy of Sciences, Moscow, Russia"
          ], 
          "type": "Organization"
        }, 
        "familyName": "Arkhipov", 
        "givenName": "D. E.", 
        "id": "sg:person.014441433661.39", 
        "sameAs": [
          "https://app.dimensions.ai/discover/publication?and_facet_researcher=ur.014441433661.39"
        ], 
        "type": "Person"
      }, 
      {
        "affiliation": {
          "alternateName": "A. V. Grebenshchikov Institute of Silicate Chemistry, Russian Academy of Sciences, St. Petersburg, Russia", 
          "id": "http://www.grid.ac/institutes/grid.4886.2", 
          "name": [
            "A. V. Grebenshchikov Institute of Silicate Chemistry, Russian Academy of Sciences, St. Petersburg, Russia"
          ], 
          "type": "Organization"
        }, 
        "familyName": "Agapova", 
        "givenName": "Ya. V.", 
        "type": "Person"
      }, 
      {
        "affiliation": {
          "alternateName": "A. V. Grebenshchikov Institute of Silicate Chemistry, Russian Academy of Sciences, St. Petersburg, Russia", 
          "id": "http://www.grid.ac/institutes/grid.4886.2", 
          "name": [
            "A. V. Grebenshchikov Institute of Silicate Chemistry, Russian Academy of Sciences, St. Petersburg, Russia"
          ], 
          "type": "Organization"
        }, 
        "familyName": "Kochina", 
        "givenName": "T. A.", 
        "id": "sg:person.013464300723.40", 
        "sameAs": [
          "https://app.dimensions.ai/discover/publication?and_facet_researcher=ur.013464300723.40"
        ], 
        "type": "Person"
      }
    ], 
    "citation": [
      {
        "id": "sg:pub.10.1134/s1070363209110097", 
        "sameAs": [
          "https://app.dimensions.ai/details/publication/pub.1007438294", 
          "https://doi.org/10.1134/s1070363209110097"
        ], 
        "type": "CreativeWork"
      }, 
      {
        "id": "sg:pub.10.1007/bf00746225", 
        "sameAs": [
          "https://app.dimensions.ai/details/publication/pub.1031490904", 
          "https://doi.org/10.1007/bf00746225"
        ], 
        "type": "CreativeWork"
      }, 
      {
        "id": "sg:pub.10.1134/s0012500807050011", 
        "sameAs": [
          "https://app.dimensions.ai/details/publication/pub.1002598309", 
          "https://doi.org/10.1134/s0012500807050011"
        ], 
        "type": "CreativeWork"
      }
    ], 
    "datePublished": "2014-01", 
    "datePublishedReg": "2014-01-01", 
    "description": "By X-ray diffraction the crystal and molecular structure of iodoprotatrane (tris(2-hydroxyethyl)ammonium iodide I[HN(CH2CH2OH)3]+ (IP) at 120 K and 293 K is determined. The IP cation, as in all protatranes, has the endo conformation. The N-H bond is surrounded by three CH2CH2OH groups. The stability of this configuration is explained by the intramolecular trifurcated inductive interaction with three oxygen atoms through the space of the nitrogen atom. In the IP crystal packing, each iodine anion is linked by three strong OH...I (2.63 \u00c5) and three weak I...H (3.13 \u00c5) hydrogen bonds with six cations from the CH2N group. This indicates a greater nucleophilicity of the iodine atom.", 
    "genre": "article", 
    "id": "sg:pub.10.1134/s0022476614010193", 
    "isAccessibleForFree": false, 
    "isPartOf": [
      {
        "id": "sg:journal.1135923", 
        "issn": [
          "0022-4766", 
          "1573-8779"
        ], 
        "name": "Journal of Structural Chemistry", 
        "publisher": "Pleiades Publishing", 
        "type": "Periodical"
      }, 
      {
        "issueNumber": "1", 
        "type": "PublicationIssue"
      }, 
      {
        "type": "PublicationVolume", 
        "volumeNumber": "55"
      }
    ], 
    "keywords": [
      "X-ray diffraction", 
      "molecular structure", 
      "diffraction", 
      "crystals", 
      "structure"
    ], 
    "name": "Crystal and molecular structure of iodoprotatrane: Tris(2-hydroxyethyl)ammonium iodide", 
    "pagination": "120-124", 
    "productId": [
      {
        "name": "dimensions_id", 
        "type": "PropertyValue", 
        "value": [
          "pub.1026943591"
        ]
      }, 
      {
        "name": "doi", 
        "type": "PropertyValue", 
        "value": [
          "10.1134/s0022476614010193"
        ]
      }
    ], 
    "sameAs": [
      "https://doi.org/10.1134/s0022476614010193", 
      "https://app.dimensions.ai/details/publication/pub.1026943591"
    ], 
    "sdDataset": "articles", 
    "sdDatePublished": "2022-09-02T15:57", 
    "sdLicense": "https://scigraph.springernature.com/explorer/license/", 
    "sdPublisher": {
      "name": "Springer Nature - SN SciGraph project", 
      "type": "Organization"
    }, 
    "sdSource": "s3://com-springernature-scigraph/baseset/20220902/entities/gbq_results/article/article_628.jsonl", 
    "type": "ScholarlyArticle", 
    "url": "https://doi.org/10.1134/s0022476614010193"
  }
]
 

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/s0022476614010193'

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/s0022476614010193'

Turtle is a human-readable linked data format.

curl -H 'Accept: text/turtle' 'https://scigraph.springernature.com/pub.10.1134/s0022476614010193'

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

curl -H 'Accept: application/rdf+xml' 'https://scigraph.springernature.com/pub.10.1134/s0022476614010193'


 

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

134 TRIPLES      21 PREDICATES      34 URIs      22 LITERALS      6 BLANK NODES

Subject Predicate Object
1 sg:pub.10.1134/s0022476614010193 schema:about anzsrc-for:03
2 anzsrc-for:0302
3 anzsrc-for:0306
4 schema:author N9d5cca2ca66f436693000e4fab385266
5 schema:citation sg:pub.10.1007/bf00746225
6 sg:pub.10.1134/s0012500807050011
7 sg:pub.10.1134/s1070363209110097
8 schema:datePublished 2014-01
9 schema:datePublishedReg 2014-01-01
10 schema:description By X-ray diffraction the crystal and molecular structure of iodoprotatrane (tris(2-hydroxyethyl)ammonium iodide I[HN(CH2CH2OH)3]+ (IP) at 120 K and 293 K is determined. The IP cation, as in all protatranes, has the endo conformation. The N-H bond is surrounded by three CH2CH2OH groups. The stability of this configuration is explained by the intramolecular trifurcated inductive interaction with three oxygen atoms through the space of the nitrogen atom. In the IP crystal packing, each iodine anion is linked by three strong OH...I (2.63 Å) and three weak I...H (3.13 Å) hydrogen bonds with six cations from the CH2N group. This indicates a greater nucleophilicity of the iodine atom.
11 schema:genre article
12 schema:isAccessibleForFree false
13 schema:isPartOf N55014402cf9845b4a55d4e1506d0b771
14 Nf3d7b8d96f3a4a24bb0f0bf085d27ba5
15 sg:journal.1135923
16 schema:keywords X-ray diffraction
17 crystals
18 diffraction
19 molecular structure
20 structure
21 schema:name Crystal and molecular structure of iodoprotatrane: Tris(2-hydroxyethyl)ammonium iodide
22 schema:pagination 120-124
23 schema:productId N32144c4c2107428f9365a5de3dada3d3
24 Na3f3a9ef63614139a49d6a890142cd5c
25 schema:sameAs https://app.dimensions.ai/details/publication/pub.1026943591
26 https://doi.org/10.1134/s0022476614010193
27 schema:sdDatePublished 2022-09-02T15:57
28 schema:sdLicense https://scigraph.springernature.com/explorer/license/
29 schema:sdPublisher N80e0d9998e224553bd6b9c51e0ac2a74
30 schema:url https://doi.org/10.1134/s0022476614010193
31 sgo:license sg:explorer/license/
32 sgo:sdDataset articles
33 rdf:type schema:ScholarlyArticle
34 N0fa8cad6c07e47568818000c38fc197d schema:affiliation grid-institutes:grid.4886.2
35 schema:familyName Agapova
36 schema:givenName Ya. V.
37 rdf:type schema:Person
38 N26aba2730a8f4399976a4e08b538968f rdf:first N6cea2ec190a14e209807d934c030678b
39 rdf:rest Nb2364af7122d466ca82aaf72e0df2c23
40 N32144c4c2107428f9365a5de3dada3d3 schema:name doi
41 schema:value 10.1134/s0022476614010193
42 rdf:type schema:PropertyValue
43 N55014402cf9845b4a55d4e1506d0b771 schema:volumeNumber 55
44 rdf:type schema:PublicationVolume
45 N56021924e02e4925a2a69cde9471210b rdf:first sg:person.013464300723.40
46 rdf:rest rdf:nil
47 N6cea2ec190a14e209807d934c030678b schema:affiliation grid-institutes:grid.419507.e
48 schema:familyName Borrmann
49 schema:givenName X.
50 rdf:type schema:Person
51 N735f0b74bfb44dc592b7ac68219148c5 rdf:first N0fa8cad6c07e47568818000c38fc197d
52 rdf:rest N56021924e02e4925a2a69cde9471210b
53 N777d7a2de37a420e925db37b7934bf82 rdf:first sg:person.015556465257.91
54 rdf:rest N78cb7c69f0554258ac7fe6f03ac7eaff
55 N78cb7c69f0554258ac7fe6f03ac7eaff rdf:first sg:person.016610274245.38
56 rdf:rest N26aba2730a8f4399976a4e08b538968f
57 N80e0d9998e224553bd6b9c51e0ac2a74 schema:name Springer Nature - SN SciGraph project
58 rdf:type schema:Organization
59 N9d5cca2ca66f436693000e4fab385266 rdf:first sg:person.016410733065.70
60 rdf:rest Nbe2cfde537d84256a891920f8a4bf106
61 Na3f3a9ef63614139a49d6a890142cd5c schema:name dimensions_id
62 schema:value pub.1026943591
63 rdf:type schema:PropertyValue
64 Nb2364af7122d466ca82aaf72e0df2c23 rdf:first sg:person.014441433661.39
65 rdf:rest N735f0b74bfb44dc592b7ac68219148c5
66 Nbe2cfde537d84256a891920f8a4bf106 rdf:first sg:person.01050521013.60
67 rdf:rest N777d7a2de37a420e925db37b7934bf82
68 Nf3d7b8d96f3a4a24bb0f0bf085d27ba5 schema:issueNumber 1
69 rdf:type schema:PublicationIssue
70 anzsrc-for:03 schema:inDefinedTermSet anzsrc-for:
71 schema:name Chemical Sciences
72 rdf:type schema:DefinedTerm
73 anzsrc-for:0302 schema:inDefinedTermSet anzsrc-for:
74 schema:name Inorganic Chemistry
75 rdf:type schema:DefinedTerm
76 anzsrc-for:0306 schema:inDefinedTermSet anzsrc-for:
77 schema:name Physical Chemistry (incl. Structural)
78 rdf:type schema:DefinedTerm
79 sg:journal.1135923 schema:issn 0022-4766
80 1573-8779
81 schema:name Journal of Structural Chemistry
82 schema:publisher Pleiades Publishing
83 rdf:type schema:Periodical
84 sg:person.01050521013.60 schema:affiliation grid-institutes:grid.431939.5
85 schema:familyName Korlyukov
86 schema:givenName A. A.
87 schema:sameAs https://app.dimensions.ai/discover/publication?and_facet_researcher=ur.01050521013.60
88 rdf:type schema:Person
89 sg:person.013464300723.40 schema:affiliation grid-institutes:grid.4886.2
90 schema:familyName Kochina
91 schema:givenName T. A.
92 schema:sameAs https://app.dimensions.ai/discover/publication?and_facet_researcher=ur.013464300723.40
93 rdf:type schema:Person
94 sg:person.014441433661.39 schema:affiliation grid-institutes:grid.431939.5
95 schema:familyName Arkhipov
96 schema:givenName D. E.
97 schema:sameAs https://app.dimensions.ai/discover/publication?and_facet_researcher=ur.014441433661.39
98 rdf:type schema:Person
99 sg:person.015556465257.91 schema:affiliation grid-institutes:None
100 schema:familyName Zel’bst
101 schema:givenName È. A.
102 schema:sameAs https://app.dimensions.ai/discover/publication?and_facet_researcher=ur.015556465257.91
103 rdf:type schema:Person
104 sg:person.016410733065.70 schema:affiliation grid-institutes:grid.4886.2
105 schema:familyName Voronkov
106 schema:givenName M. G.
107 schema:sameAs https://app.dimensions.ai/discover/publication?and_facet_researcher=ur.016410733065.70
108 rdf:type schema:Person
109 sg:person.016610274245.38 schema:affiliation grid-institutes:grid.4886.2
110 schema:familyName Fundamenskii
111 schema:givenName V. S.
112 schema:sameAs https://app.dimensions.ai/discover/publication?and_facet_researcher=ur.016610274245.38
113 rdf:type schema:Person
114 sg:pub.10.1007/bf00746225 schema:sameAs https://app.dimensions.ai/details/publication/pub.1031490904
115 https://doi.org/10.1007/bf00746225
116 rdf:type schema:CreativeWork
117 sg:pub.10.1134/s0012500807050011 schema:sameAs https://app.dimensions.ai/details/publication/pub.1002598309
118 https://doi.org/10.1134/s0012500807050011
119 rdf:type schema:CreativeWork
120 sg:pub.10.1134/s1070363209110097 schema:sameAs https://app.dimensions.ai/details/publication/pub.1007438294
121 https://doi.org/10.1134/s1070363209110097
122 rdf:type schema:CreativeWork
123 grid-institutes:None schema:alternateName East Siberian State Academy of Education, Irkutsk, Russia
124 schema:name East Siberian State Academy of Education, Irkutsk, Russia
125 rdf:type schema:Organization
126 grid-institutes:grid.419507.e schema:alternateName Max Planck Institute for the Chemical Physics of Solids, Dresden, Germany
127 schema:name Max Planck Institute for the Chemical Physics of Solids, Dresden, Germany
128 rdf:type schema:Organization
129 grid-institutes:grid.431939.5 schema:alternateName A. N. Nesmeyanov Institute of Organoelement Compounds, Russian Academy of Sciences, Moscow, Russia
130 schema:name A. N. Nesmeyanov Institute of Organoelement Compounds, Russian Academy of Sciences, Moscow, Russia
131 rdf:type schema:Organization
132 grid-institutes:grid.4886.2 schema:alternateName A. V. Grebenshchikov Institute of Silicate Chemistry, Russian Academy of Sciences, St. Petersburg, Russia
133 schema:name A. V. Grebenshchikov Institute of Silicate Chemistry, Russian Academy of Sciences, St. Petersburg, Russia
134 rdf:type schema:Organization
 




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


...