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1-(Biphenyl-4-ylmethylidene)thiosemicarbazide monohydrate

Author:
Mendoza Meroño, RafaelUniovi authority; Menéndez Taboada, LauraUniovi authority; Fernández Zapico, EvaUniovi authority; García-Granda, SantiagoUniovi authority
Publication date:
2010
Publisher version:
http://dx.doi.org/10.1107/S1600536810011888
Citación:
Acta Crystallographica Section E: Structure Reports Online, 66(5), P.o1029 (2010); doi:10.1107/S1600536810011888
Abstract:

In the title compound, C14H13N3S.H 2O, the thiosemicarbazide 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 molecules are involved in an extensive intermolecular N - H⋯O hydrogen-bond network, assisted by O - H⋯S interactions, which link the independent molecules into chains extended along b axis. An intramolecular hydrogen N - H⋯N bond helps to stabilize the molecular conformation.

In the title compound, C14H13N3S.H 2O, the thiosemicarbazide 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 molecules are involved in an extensive intermolecular N - H⋯O hydrogen-bond network, assisted by O - H⋯S interactions, which link the independent molecules into chains extended along b axis. An intramolecular hydrogen N - H⋯N bond helps to stabilize the molecular conformation.

URI:
http://hdl.handle.net/10651/8176
ISSN:
1600-5368
DOI:
10.1107/S1600536810011888
Patrocinado por:

Financial support by the Agencia Española de Cooperación Internacional y Desarrollo (AECID), FEDER funding, Spanish MICINN (MAT2006–01997 and Factoría de Cristalización Consolider Ingenio 2010), Gobierno del Principado de Asturias (PCTI) and Banco Santander is acknowledged.

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