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N-Benzoyl-N′-(1,10-phenanthrolin-5-yl)thio­urea dichloro­methane hemisolvate monohydrate

The title compound, C(20)H(14)N(4)OS·0.5CH(2)Cl(2)·H(2)O, contains 1,10-phenanthroline and benzoyl fragments that adopt cisoid and transoid conformations respectively, with respect to the S atom. In the crystal, mol­ecules are linked by inter­molecular O—H⋯O, O—H⋯N, N—H⋯O and C—H⋯O hydrogen bonds, f...

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Detalles Bibliográficos
Autores principales: Mat Rashid, Fatisha Liyana, Heng, Lee Yook, Daran, Jean-Claude, Kassim, Mohammad B.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2011
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3120558/
https://www.ncbi.nlm.nih.gov/pubmed/21754783
http://dx.doi.org/10.1107/S160053681101734X
Descripción
Sumario:The title compound, C(20)H(14)N(4)OS·0.5CH(2)Cl(2)·H(2)O, contains 1,10-phenanthroline and benzoyl fragments that adopt cisoid and transoid conformations respectively, with respect to the S atom. In the crystal, mol­ecules are linked by inter­molecular O—H⋯O, O—H⋯N, N—H⋯O and C—H⋯O hydrogen bonds, forming chains along [011]. Weak C—H⋯π and slipped π–π stacking inter­actions [centroid–centroid distances = 3.715 (3), 3.684 (3) and 3.574 (2) Å] are also observed. In addition to an ordered water mol­ecule of solvation, there is a disordered dichloro­methane solvent mol­ecule which was difficult to model correctly. The contributions to the electron density for this mol­ecule was removed using the SQUEEZE procedure in PLATON [Spek (2009 ▶). Acta Cryst. D65, 148–155].