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3-Benzoyl-1,1-dibenzyl-thio-urea.

ABSTRACT: Two independent thio-urea mol-ecules comprise the asymmetric unit of the title compound, C(22)H(20)N(2)OS. The central N-C(=S)N(H)C(=O) atoms in each mol-ecule are virtually superimposable and each is twisted [C-N-C-S torsion angles = 121.3?(3) and -62.3?(4)°]. The mol-ecules differ only in terms of the relative orientations of the benzyl benzene rings [major difference between the C-N-C-C torsion angles of -146.6?(3) and -132.9?(3)°]. The presence of N-H?S hydrogen bonding leads to the formation of supra-molecular chains along the a axis. These are consolidated in the crystal packing by C-H?O inter-actions. The crystal was found to be a combined non-merohedral and racemic twin (twin law 00/00/001), with the fractional contribution of the minor components being approximately 9 and 28%.

SUBMITTER: Gunasekaran N

PROVIDER: S-EPMC2983284 | biostudies-literature | 2010 Sep

REPOSITORIES: biostudies-literature

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3-Benzoyl-1,1-dibenzyl-thio-urea.

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

Acta crystallographica. Section E, Structure reports online 20100918 Pt 10

Two independent thio-urea mol-ecules comprise the asymmetric unit of the title compound, C(22)H(20)N(2)OS. The central N-C(=S)N(H)C(=O) atoms in each mol-ecule are virtually superimposable and each is twisted [C-N-C-S torsion angles = 121.3 (3) and -62.3 (4)°]. The mol-ecules differ only in terms of the relative orientations of the benzyl benzene rings [major difference between the C-N-C-C torsion angles of -146.6 (3) and -132.9 (3)°]. The presence of N-H⋯S hydrogen bonding leads to the formatio ...[more]

PMID: 21587556

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