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1-Benzoyl-3,3-bis-(propan-2-yl)thio-urea.

ABSTRACT: Two independent thio-urea derivatives comprise the asymmetric unit of the title compound, C(14)H(20)N(2)OS. The major difference between the mol-ecules relates to a twist in the relative orientation of the benzene rings [torsion angles = 4.5?(2) and -19.9?(2)° for the two independent mol-ecules]. The thio-carbonyl and carbonyl groups lie to opposite sides of the mol-ecule as there are twists about the central N-S bond [torsion angles = 83.90?(15) and 81.77?(15)°]. Supra-molecular chains extending parallel to [101] with a stepped topology and mediated by N-H?O hydrogen bonding feature in the crystal structure. C-H?O and C-H?? inter-actions are also present.

SUBMITTER: Gunasekaran N

PROVIDER: S-EPMC3007396 | biostudies-literature | 2010 Jul

REPOSITORIES: biostudies-literature

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1-Benzoyl-3,3-bis-(propan-2-yl)thio-urea.

Gunasekaran N N Karvembu R R Ng Seik Weng SW Tiekink Edward R T ER

Acta crystallographica. Section E, Structure reports online 20100724 Pt 8

Two independent thio-urea derivatives comprise the asymmetric unit of the title compound, C(14)H(20)N(2)OS. The major difference between the mol-ecules relates to a twist in the relative orientation of the benzene rings [torsion angles = 4.5 (2) and -19.9 (2)° for the two independent mol-ecules]. The thio-carbonyl and carbonyl groups lie to opposite sides of the mol-ecule as there are twists about the central N-S bond [torsion angles = 83.90 (15) and 81.77 (15)°]. Supra-molecular chains extendin ...[more]

PMID: 21588403

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