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

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dc.contributor.authorSelvakumaran, N
dc.contributor.authorSheeba, M. Mary
dc.contributor.authorKarvembu, R Ng,
dc.contributor.authorNg, Seik Weng
dc.contributor.authorTiekink, Edward R. T.
dc.date.accessioned2026-08-18T10:09:20Z
dc.date.available2026-08-18T10:09:20Z
dc.date.issued2012-11-10
dc.description.abstractIn 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.
dc.identifier.issn1600-5368
dc.identifier.urihttps://doi.org/10.1107/S1600536812045588
dc.identifier.urihttp://nitt.ndl.gov.in/handle/123456789/201
dc.language.isoen
dc.publisherInternational Union of Crystallography
dc.relation.ispartofseriesActa Crystallographica Section E: Structure Reports Online; Vol. 68 / No. 12
dc.title1-Benzoyl-3-(4-chlorophenyl)thiourea dichloromethane hemisolvate
dc.typeArticle
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