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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 ...

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Autores principales: Arman, Hadi D., Kaulgud, Trupta, Tiekink, Edward R. T.
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2010
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.
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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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AT tiekinkedwardrt benzoicacid2ee22pyridylmethylidenehydrazin1ylidenemethylpyridine21