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2,2′-(1,3-Diazinane-1,3-diyl)diacetonitrile: a second monoclinic polymorph
A new monoclinic polymorph of the title compound, C(8)H(12)N(4), in the space group P2(1)/n (Z = 4) is reported. The previously known form was also monoclinic, P2(1) /c (Z = 4), but the unit-cell parameters and crystal packing were different [Shoja & Saba (1993 ▶). Acta Cryst. C49, 354–355]. The...
Autores principales: | , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2011
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3201474/ https://www.ncbi.nlm.nih.gov/pubmed/22065712 http://dx.doi.org/10.1107/S1600536811038013 |
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author | Rivera, Augusto Maldonado, Mauricio Ríos-Motta, Jaime Fejfarová, Karla Dušek, Michal |
author_facet | Rivera, Augusto Maldonado, Mauricio Ríos-Motta, Jaime Fejfarová, Karla Dušek, Michal |
author_sort | Rivera, Augusto |
collection | PubMed |
description | A new monoclinic polymorph of the title compound, C(8)H(12)N(4), in the space group P2(1)/n (Z = 4) is reported. The previously known form was also monoclinic, P2(1) /c (Z = 4), but the unit-cell parameters and crystal packing were different [Shoja & Saba (1993 ▶). Acta Cryst. C49, 354–355]. The hexahydropyrimidine ring of the title compound adopts a chair conformation with a diequatorial substitution and with the CH(2)-C N groups oriented nearly parallel and in the same direction [NC—CH(2)⋯CH(2)—CN pseudo torsion angle = −6.27 (18)°]. In the crystal, intermolecular C—H⋯ N hydrogen bonds connects the molecules into a chain along the b axis. |
format | Online Article Text |
id | pubmed-3201474 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2011 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-32014742011-11-06 2,2′-(1,3-Diazinane-1,3-diyl)diacetonitrile: a second monoclinic polymorph Rivera, Augusto Maldonado, Mauricio Ríos-Motta, Jaime Fejfarová, Karla Dušek, Michal Acta Crystallogr Sect E Struct Rep Online Organic Papers A new monoclinic polymorph of the title compound, C(8)H(12)N(4), in the space group P2(1)/n (Z = 4) is reported. The previously known form was also monoclinic, P2(1) /c (Z = 4), but the unit-cell parameters and crystal packing were different [Shoja & Saba (1993 ▶). Acta Cryst. C49, 354–355]. The hexahydropyrimidine ring of the title compound adopts a chair conformation with a diequatorial substitution and with the CH(2)-C N groups oriented nearly parallel and in the same direction [NC—CH(2)⋯CH(2)—CN pseudo torsion angle = −6.27 (18)°]. In the crystal, intermolecular C—H⋯ N hydrogen bonds connects the molecules into a chain along the b axis. International Union of Crystallography 2011-09-30 /pmc/articles/PMC3201474/ /pubmed/22065712 http://dx.doi.org/10.1107/S1600536811038013 Text en © Rivera et al. 2011 http://creativecommons.org/licenses/by/2.0/uk/ This is an open-access article distributed under the terms of the Creative Commons Attribution Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited. |
spellingShingle | Organic Papers Rivera, Augusto Maldonado, Mauricio Ríos-Motta, Jaime Fejfarová, Karla Dušek, Michal 2,2′-(1,3-Diazinane-1,3-diyl)diacetonitrile: a second monoclinic polymorph |
title | 2,2′-(1,3-Diazinane-1,3-diyl)diacetonitrile: a second monoclinic polymorph |
title_full | 2,2′-(1,3-Diazinane-1,3-diyl)diacetonitrile: a second monoclinic polymorph |
title_fullStr | 2,2′-(1,3-Diazinane-1,3-diyl)diacetonitrile: a second monoclinic polymorph |
title_full_unstemmed | 2,2′-(1,3-Diazinane-1,3-diyl)diacetonitrile: a second monoclinic polymorph |
title_short | 2,2′-(1,3-Diazinane-1,3-diyl)diacetonitrile: a second monoclinic polymorph |
title_sort | 2,2′-(1,3-diazinane-1,3-diyl)diacetonitrile: a second monoclinic polymorph |
topic | Organic Papers |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3201474/ https://www.ncbi.nlm.nih.gov/pubmed/22065712 http://dx.doi.org/10.1107/S1600536811038013 |
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