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An ortho­rhom­bic polymorph of pyrazino­[2,3-f][1,10]phenanthroline-2,3-dicarbonitrile

The title compound, C(16)H(6)N(6), is a polymorph of the previously reported structure [Kozlov & Goldberg (2008 ▶). Acta Cryst. C64, o498–o501]. Unlike the previously reported monoclinic polymorph (space group P2(1)/c, Z = 8), the title compound reveals ortho­rhom­bic symmetry (space group Pnma,...

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Autores principales: Yang, Wei, Qiu, Qi-Ming, Zhou, Li-Li, Jin, Qiong-Hua, Zhang, Cun-Lin
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2011
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3238907/
https://www.ncbi.nlm.nih.gov/pubmed/22199760
http://dx.doi.org/10.1107/S1600536811047039
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author Yang, Wei
Qiu, Qi-Ming
Zhou, Li-Li
Jin, Qiong-Hua
Zhang, Cun-Lin
author_facet Yang, Wei
Qiu, Qi-Ming
Zhou, Li-Li
Jin, Qiong-Hua
Zhang, Cun-Lin
author_sort Yang, Wei
collection PubMed
description The title compound, C(16)H(6)N(6), is a polymorph of the previously reported structure [Kozlov & Goldberg (2008 ▶). Acta Cryst. C64, o498–o501]. Unlike the previously reported monoclinic polymorph (space group P2(1)/c, Z = 8), the title compound reveals ortho­rhom­bic symmetry (space group Pnma, Z = 4). The mol­ecule shows crystallographic mirror symmetry, while the previously reported structure exhibits two independent mol­ecules per asymmetric unit. In the title compound, adjacent mol­ecules are essentially parallel along the c axis and tend to be vertical along the b axis with dihedral angles of 72.02 (6)°. However, in the reported polymorph, the entire crystal structure shows an anti­parallel arrangement of adjacent columns related by inversion centers and the two independent mol­ecules are nearly parallel with a dihedral angle of 2.48 (6)°.
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spelling pubmed-32389072011-12-23 An ortho­rhom­bic polymorph of pyrazino­[2,3-f][1,10]phenanthroline-2,3-dicarbonitrile Yang, Wei Qiu, Qi-Ming Zhou, Li-Li Jin, Qiong-Hua Zhang, Cun-Lin Acta Crystallogr Sect E Struct Rep Online Organic Papers The title compound, C(16)H(6)N(6), is a polymorph of the previously reported structure [Kozlov & Goldberg (2008 ▶). Acta Cryst. C64, o498–o501]. Unlike the previously reported monoclinic polymorph (space group P2(1)/c, Z = 8), the title compound reveals ortho­rhom­bic symmetry (space group Pnma, Z = 4). The mol­ecule shows crystallographic mirror symmetry, while the previously reported structure exhibits two independent mol­ecules per asymmetric unit. In the title compound, adjacent mol­ecules are essentially parallel along the c axis and tend to be vertical along the b axis with dihedral angles of 72.02 (6)°. However, in the reported polymorph, the entire crystal structure shows an anti­parallel arrangement of adjacent columns related by inversion centers and the two independent mol­ecules are nearly parallel with a dihedral angle of 2.48 (6)°. International Union of Crystallography 2011-11-09 /pmc/articles/PMC3238907/ /pubmed/22199760 http://dx.doi.org/10.1107/S1600536811047039 Text en © Yang 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
Yang, Wei
Qiu, Qi-Ming
Zhou, Li-Li
Jin, Qiong-Hua
Zhang, Cun-Lin
An ortho­rhom­bic polymorph of pyrazino­[2,3-f][1,10]phenanthroline-2,3-dicarbonitrile
title An ortho­rhom­bic polymorph of pyrazino­[2,3-f][1,10]phenanthroline-2,3-dicarbonitrile
title_full An ortho­rhom­bic polymorph of pyrazino­[2,3-f][1,10]phenanthroline-2,3-dicarbonitrile
title_fullStr An ortho­rhom­bic polymorph of pyrazino­[2,3-f][1,10]phenanthroline-2,3-dicarbonitrile
title_full_unstemmed An ortho­rhom­bic polymorph of pyrazino­[2,3-f][1,10]phenanthroline-2,3-dicarbonitrile
title_short An ortho­rhom­bic polymorph of pyrazino­[2,3-f][1,10]phenanthroline-2,3-dicarbonitrile
title_sort ortho­rhom­bic polymorph of pyrazino­[2,3-f][1,10]phenanthroline-2,3-dicarbonitrile
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3238907/
https://www.ncbi.nlm.nih.gov/pubmed/22199760
http://dx.doi.org/10.1107/S1600536811047039
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