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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...

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Autores principales: Rivera, Augusto, Maldonado, Mauricio, Ríos-Motta, Jaime, Fejfarová, Karla, Dušek, Michal
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2011
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.
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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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