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Benzoic acid-4-{(1E)-[(E)-2-(pyridin-4-yl-methyl-idene)hydrazin-1-yl-idene]meth-yl}pyridine (2/1).

ABSTRACT: In the title co-crystal, C(12)H(10)N(4)·2C(7)H(6)O(2), the complete 4-pyridine-aldazine mol-ecule is generated by a crystallographic centre of inversion. In the crystal, mol-ecules are connected into a three component aggregate via O-H?N hydrogen bonds. As both the benzoic acid [O-C-C-C torsion angle = 174.8?(2)°] and 4-pyridine-aldazine (r.m.s. deviation of the 16 non-H atoms = 0.041?Å) mol-ecules are almost planar, the resulting three-component aggregate is essentially planar. The crystal packing comprises layers of the three-component aggregates of alternating orientation stacked along the b axis; the connections between the mol-ecules are of the types C-H?? and ?-? [pyridine-benzene centroid-centroid distance = 3.787?(4)?Å].

SUBMITTER: Arman HD

PROVIDER: S-EPMC3009056 | biostudies-literature | 2010 Oct

REPOSITORIES: biostudies-literature

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Benzoic acid-4-{(1E)-[(E)-2-(pyridin-4-yl-methyl-idene)hydrazin-1-yl-idene]meth-yl}pyridine (2/1).

Arman Hadi D HD Kaulgud Trupta T Tiekink Edward R T ER

Acta crystallographica. Section E, Structure reports online 20101023 Pt 11

In the title co-crystal, C(12)H(10)N(4)·2C(7)H(6)O(2), the complete 4-pyridine-aldazine mol-ecule is generated by a crystallographic centre of inversion. In the crystal, mol-ecules are connected into a three component aggregate via O-H⋯N hydrogen bonds. As both the benzoic acid [O-C-C-C torsion angle = 174.8 (2)°] and 4-pyridine-aldazine (r.m.s. deviation of the 16 non-H atoms = 0.041 Å) mol-ecules are almost planar, the resulting three-component aggregate is essentially planar. The crystal pack ...[more]

PMID: 21589098

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Benzoic acid-2-{(E)-[(E)-2-(2-pyridyl-methyl-idene)hydrazin-1-yl-idene]meth-yl}pyridine (2/1).

Project description:The asymmetric unit of the title cocrystal, C(12)H(10)N(4)·2C(7)H(6)O(2), comprises a single mol-ecule of benzoic acid and one half-mol-ecule of 2-pyridine-aldazine 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-pyridine-aldazine mol-ecule is planar (r.m.s. deviation of the 16 non-H atoms = 0.017?Å). In the crystal, mol-ecules are connected into a non-planar three-mol-ecule 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-pyridine-aldazine mol-ecules in the ab plane are sandwiched by benzoic acid mol-ecules being connected by O-H?N and C-H?O inter-actions, the latter involving the carbonyl O atom so that each benzoic acid mol-ecule links three different 2-pyridine-aldazine mol-ecules. Inter-digitated layers stack along the c axis.

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Crystal structure of 2-((1E)-{2-[bis-(2-methyl-benzyl-sulfan-yl)methyl-idene]hydrazin-1-yl-idene}meth-yl)-6-meth-oxy-phenol.

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