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(2E)-N'-[(E)-4-Chloro-benzyl-idene]-3-phenyl-prop-2-enohydrazide monohydrate.

ABSTRACT: The conformation about each of the imine and ethene bonds in the title hydrazide hydrate, C(16)H(13)ClN(2)O·H(2)O, is E. The hydrazide mol-ecule is approximately planar (r.m.s. deviation of the 20 non-H atoms = 0.172 Å). The most significant twist occurs about the ethene bond [C-C=C-C = 164.1 (5)°] and the dihedral angle formed between the benzene rings is 5.3 (2)°]. In the crystal, the presence of N-H⋯O(w) and O-H⋯O(c) (× 2; w = water and c = carbon-yl) hydrogen bonds leads to a supra-molecular array in the bc plane.

SUBMITTER: Carvalho SA 

PROVIDER: S-EPMC3007965 | biostudies-literature | 2010 Aug

REPOSITORIES: biostudies-literature

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(2E)-N'-[(E)-4-Chloro-benzyl-idene]-3-phenyl-prop-2-enohydrazide monohydrate.

Carvalho Samir A SA   da Silva Edson F EF   Fraga Carlos A M CA   Wardell Solange M S V SM   Wardell James L JL   Tiekink Edward R T ER  

Acta crystallographica. Section E, Structure reports online 20100828 Pt 9

The conformation about each of the imine and ethene bonds in the title hydrazide hydrate, C(16)H(13)ClN(2)O·H(2)O, is E. The hydrazide mol-ecule is approximately planar (r.m.s. deviation of the 20 non-H atoms = 0.172 Å). The most significant twist occurs about the ethene bond [C-C=C-C = 164.1 (5)°] and the dihedral angle formed between the benzene rings is 5.3 (2)°]. In the crystal, the presence of N-H⋯O(w) and O-H⋯O(c) (× 2; w = water and c = carbon-yl) hydrogen bonds leads to a supra-molecular  ...[more]

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