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1-(Biphenyl-4-ylmethyl-idene)thio-semicarbazide monohydrate.


ABSTRACT: In the title compound, C(14)H(13)N(3)S·H(2)O, the thio-semicarbazide group is nearly planar, with a maximum deviation of 0.072?(2)?Å from the ideal least-squares plane, and shows an E conformation. In the crystal packing, the water mol-ecules are involved in an extensive inter-molecular N-H?O hydrogen-bond network, assisted by O-H?S inter-actions, which link the independent mol-ecules into chains extended along b axis. An intra-molecular hydrogen N-H?N bond helps to stabilize the mol-ecular conformation.

SUBMITTER: Mendoza-Merono R 

PROVIDER: S-EPMC2979168 | biostudies-literature | 2010 Apr

REPOSITORIES: biostudies-literature

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1-(Biphenyl-4-ylmethyl-idene)thio-semicarbazide monohydrate.

Mendoza-Meroño Rafael R   Menéndez-Taboada Laura L   Fernández-Zapico Eva E   García-Granda Santiago S  

Acta crystallographica. Section E, Structure reports online 20100410 Pt 5


In the title compound, C(14)H(13)N(3)S·H(2)O, the thio-semicarbazide group is nearly planar, with a maximum deviation of 0.072 (2) Å from the ideal least-squares plane, and shows an E conformation. In the crystal packing, the water mol-ecules are involved in an extensive inter-molecular N-H⋯O hydrogen-bond network, assisted by O-H⋯S inter-actions, which link the independent mol-ecules into chains extended along b axis. An intra-molecular hydrogen N-H⋯N bond helps to stabilize the mol-ecular conf  ...[more]

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