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Benzoic acid–2-{(E)-[(E)-2-(2-pyridylmethylidene)hydrazin-1-ylidene]methyl}pyridine (2/1)
The asymmetric unit of the title cocrystal, C(12)H(10)N(4)·2C(7)H(6)O(2), comprises a single molecule of benzoic acid and one half-molecule of 2-pyridinealdazine situated about a centre of inversion. The carboxyl group is coplanar with the benzene ring to which it is connected [O—C—C—C = −172.47 ...
Autores principales: | , , |
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Formato: | Texto |
Lenguaje: | English |
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International Union of Crystallography
2010
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3009141/ https://www.ncbi.nlm.nih.gov/pubmed/21589004 http://dx.doi.org/10.1107/S1600536810040651 |
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author | Arman, Hadi D. Kaulgud, Trupta Tiekink, Edward R. T. |
author_facet | Arman, Hadi D. Kaulgud, Trupta Tiekink, Edward R. T. |
author_sort | Arman, Hadi D. |
collection | PubMed |
description | The asymmetric unit of the title cocrystal, C(12)H(10)N(4)·2C(7)H(6)O(2), comprises a single molecule of benzoic acid and one half-molecule of 2-pyridinealdazine situated about a centre of inversion. The carboxyl group is coplanar with the benzene ring to which it is connected [O—C—C—C = −172.47 (12)°] and similarly, the 2-pyridinealdazine molecule is planar (r.m.s. deviation of the 16 non-H atoms = 0.017 Å). In the crystal, molecules are connected into a non-planar three-molecule aggregate [dihedral angle between the benzene and pyridyl ring connected by the hydrogen bond = 61.30 (7)°] with a twisted Z-shape. Layers of 2-pyridinealdazine molecules in the ab plane are sandwiched by benzoic acid molecules being connected by O—H⋯N and C—H⋯O interactions, the latter involving the carbonyl O atom so that each benzoic acid molecule links three different 2-pyridinealdazine molecules. Interdigitated layers stack along the c axis. |
format | Text |
id | pubmed-3009141 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2010 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-30091412010-12-30 Benzoic acid–2-{(E)-[(E)-2-(2-pyridylmethylidene)hydrazin-1-ylidene]methyl}pyridine (2/1) Arman, Hadi D. Kaulgud, Trupta Tiekink, Edward R. T. Acta Crystallogr Sect E Struct Rep Online Organic Papers The asymmetric unit of the title cocrystal, C(12)H(10)N(4)·2C(7)H(6)O(2), comprises a single molecule of benzoic acid and one half-molecule of 2-pyridinealdazine situated about a centre of inversion. The carboxyl group is coplanar with the benzene ring to which it is connected [O—C—C—C = −172.47 (12)°] and similarly, the 2-pyridinealdazine molecule is planar (r.m.s. deviation of the 16 non-H atoms = 0.017 Å). In the crystal, molecules are connected into a non-planar three-molecule aggregate [dihedral angle between the benzene and pyridyl ring connected by the hydrogen bond = 61.30 (7)°] with a twisted Z-shape. Layers of 2-pyridinealdazine molecules in the ab plane are sandwiched by benzoic acid molecules being connected by O—H⋯N and C—H⋯O interactions, the latter involving the carbonyl O atom so that each benzoic acid molecule links three different 2-pyridinealdazine molecules. Interdigitated layers stack along the c axis. International Union of Crystallography 2010-10-20 /pmc/articles/PMC3009141/ /pubmed/21589004 http://dx.doi.org/10.1107/S1600536810040651 Text en © Arman et al. 2010 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 Arman, Hadi D. Kaulgud, Trupta Tiekink, Edward R. T. Benzoic acid–2-{(E)-[(E)-2-(2-pyridylmethylidene)hydrazin-1-ylidene]methyl}pyridine (2/1) |
title | Benzoic acid–2-{(E)-[(E)-2-(2-pyridylmethylidene)hydrazin-1-ylidene]methyl}pyridine (2/1) |
title_full | Benzoic acid–2-{(E)-[(E)-2-(2-pyridylmethylidene)hydrazin-1-ylidene]methyl}pyridine (2/1) |
title_fullStr | Benzoic acid–2-{(E)-[(E)-2-(2-pyridylmethylidene)hydrazin-1-ylidene]methyl}pyridine (2/1) |
title_full_unstemmed | Benzoic acid–2-{(E)-[(E)-2-(2-pyridylmethylidene)hydrazin-1-ylidene]methyl}pyridine (2/1) |
title_short | Benzoic acid–2-{(E)-[(E)-2-(2-pyridylmethylidene)hydrazin-1-ylidene]methyl}pyridine (2/1) |
title_sort | benzoic acid–2-{(e)-[(e)-2-(2-pyridylmethylidene)hydrazin-1-ylidene]methyl}pyridine (2/1) |
topic | Organic Papers |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3009141/ https://www.ncbi.nlm.nih.gov/pubmed/21589004 http://dx.doi.org/10.1107/S1600536810040651 |
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