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(E)-N'-(2,3,4-Trihy-droxy-benzyl-idene)-isonicotinohydrazide dihydrate.

ABSTRACT: In the title isoniazid derivative, C(13)H(11)N(3)O(4)·2H(2)O, the Schiff base mol-ecule exists in an E configuration with respect to the acyclic C=N bond. An intra-molecular O-H?N hydrogen bond forms a six-membered ring, producing an S(6) ring motif. The essentially planar pyridine ring [maximum deviation = 0.0119?(8)?Å] is inclined at a dihedral angle of 7.30?(4)° with respect to the benzene ring. In the crystal, inter-molecular O-H?N, O-H?O, N-H?O and C-H?O hydrogen bonds link the mol-ecules into two-dimensional arrays lying parallel to the (10) plane. These arrays are further inter-connected into a three-dimensional extended network via O-H?O and C-H?O hydrogen bonds. A weak inter-molecular ?-? inter-action [centroid-to-centroid distance = 3.5627?(5)?Å] is also observed.

SUBMITTER: Naveenkumar HS

PROVIDER: S-EPMC3009032 | biostudies-literature | 2010 Oct

REPOSITORIES: biostudies-literature

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(E)-N'-(2,3,4-Trihy-droxy-benzyl-idene)-isonicotinohydrazide dihydrate.

Naveenkumar H S HS Sadikun Amirin A Ibrahim Pazilah P Goh Jia Hao JH Fun Hoong-Kun HK

Acta crystallographica. Section E, Structure reports online 20101031 Pt 11

In the title isoniazid derivative, C(13)H(11)N(3)O(4)·2H(2)O, the Schiff base mol-ecule exists in an E configuration with respect to the acyclic C=N bond. An intra-molecular O-H⋯N hydrogen bond forms a six-membered ring, producing an S(6) ring motif. The essentially planar pyridine ring [maximum deviation = 0.0119 (8) Å] is inclined at a dihedral angle of 7.30 (4)° with respect to the benzene ring. In the crystal, inter-molecular O-H⋯N, O-H⋯O, N-H⋯O and C-H⋯O hydrogen bonds link the mol-ecules i ...[more]

PMID: 21589176

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