TY  - JOUR
A1  - Rauf, M. Khawar
A1  - Bolte, Michael
A1  - Badshah, Amin
T1  - 1-(4-Chlorobenzoyl)-3-(2,4,6-trichlorophenyl)thiourea hemihydrate
T2  - Acta crystallographica / Section E, Structure reports online
N2  - The asymmetric unit of the title compound, C14H8Cl4N2OS·0.5H2O, contains two independent molecules with different conformations with respect to the aromatic ring planes, and one water molecule. The bond lengths and angles are typical of thiourea compounds of this class. The molecule exists in the solid state in its thione form with typical thiourea C-S and C-O bonds lengths, as well as shortened C-N bonds. The dihedral angles between the two aromatic planes are 66.93 (8) and 60.44 (9)° in the two independent molecules. An intramolecular N-H...O hydrogen bond stabilizes the molecular conformation and the crystal packing is characterized by N-H...O, O-H...S and O-H...Cl hydrogen bonds. Key indicators: single-crystal X-ray study; T = 173 K; mean σ(C–C) = 0.004 Å; R factor = 0.045; wR factor = 0.125; data-to-parameter ratio = 16.8.
Y1  - 2009
UR  - http://publikationen.ub.uni-frankfurt.de/frontdoor/index/index/docId/6949
UR  - https://nbn-resolving.org/urn:nbn:de:hebis:30-69556
N1  - This is an open-access article distributed under the terms of the Creative Commons Attribution Licence http://creativecommons.org/licenses/by/2.0/uk/legalcode, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.
VL  - 65
IS  - o143
ER  -