Acta Crystallographica Section E

Structure Reports Online

Volume 68, Part 12 (December 2012)

organic compounds

Acta Cryst. (2012). E68, o3313    [ doi:10.1107/S1600536812045588 ]

1-Benzoyl-3-(4-chloro­phen­yl)thio­urea dichloro­methane hemisolvate

N. Selvakumaran, M. M. Sheeba, R. Karvembu, S. W. Ng and E. R. T. Tiekink

Abstract: In the title hemisolvate, C14H11ClN2OS·0.5CH2Cl2, an anti disposition is found for the thione and ketone atoms, as well as the N-H H atoms; the dichloro­methane C atom lies on a twofold axis. The central chromophore (including the two adjacent ipso C atoms) is planar (r.m.s. deviation = 0.021 Å) owing to the presence of an intra­molecular N-H...O hydrogen bond, which closes an S(6) loop. Significant twists are evident in the mol­ecule, the dihedral angles between the central moiety and the phenyl and benzene rings being 29.52 (7) and 40.02 (7)°, respectively. In the crystal, eight-membered {...HNC= S}2 synthons with twofold symmetry form via N-H...S hydrogen bonds. The dimers are connected into a supra­molecular chain along [111] by C-H...O inter­actions. The chains stack along the c axis, forming columns which define channels in which the occluded dichloro­methane mol­ecules reside.

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