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Crystal structure of (E)-4-hy-droxy-N'-(3-hy-droxy-benzyl-idene)benzohydrazide monohydrate.


ABSTRACT: In the title benzohydrazide hydrate, C14H12N2O3·H2O, the dihedral angle between the aromatic rings is 58.11?(6)° and the C=O and N-H groups adopt an anti orientation. The main twist in the mol-ecule occurs about the C(=O)-Car (ar = aromatic) bond, with an N-C(=O)-Car-Car torsion angle of -43.5?(2)°. In the crystal, the components are linked by N-H?O, O-H?N and O-H?O hydrogen bonds. These inter-actions generate [10-1] chains, with adjacent organic mol-ecules linked by inversion symmetry generating either pairs of N-H?O links [R 2 (2)(16) loops] or pairs of O-H?O links [R 2 (2)(20) loops]. Pairs of water mol-ecules are located in the R 2 (2)(20) loops and form their own O-H?O and O-H?N hydrogen bonds to adjacent organic mol-ecules in the chain. Finally, an inter-chain O-H?O hydrogen-bond link from the 4-hy-droxy group generates (010) sheets.

SUBMITTER: Harrison WT 

PROVIDER: S-EPMC4186143 | biostudies-other | 2014 Sep

REPOSITORIES: biostudies-other

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Crystal structure of (E)-4-hy-droxy-N'-(3-hy-droxy-benzyl-idene)benzohydrazide monohydrate.

Harrison William T A WT   Low John Nicolson JN   Wardell James L JL  

Acta crystallographica. Section E, Structure reports online 20140801 Pt 9


In the title benzohydrazide hydrate, C14H12N2O3·H2O, the dihedral angle between the aromatic rings is 58.11 (6)° and the C=O and N-H groups adopt an anti orientation. The main twist in the mol-ecule occurs about the C(=O)-Car (ar = aromatic) bond, with an N-C(=O)-Car-Car torsion angle of -43.5 (2)°. In the crystal, the components are linked by N-H⋯O, O-H⋯N and O-H⋯O hydrogen bonds. These inter-actions generate [10-1] chains, with adjacent organic mol-ecules linked by inversion symmetry generatin  ...[more]

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