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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,...
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/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)°. |
format | Online Article Text |
id | pubmed-3238907 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2011 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
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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