3-Benzoyl-1,1-dibenzylthiourea

Document Type

Article

Publication Date

1-1-2010

Abstract

Two independent thiourea molecules 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 molecule are virtually superimposable and each is twisted [C-N-C-S torsion angles = 121.3 (3) and -62.3 (4)degrees]. The molecules 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)degrees]. The presence of N-H center dot center dot center dot S hydrogen bonding leads to the formation of supramolecular chains along the a axis. These are consolidated in the crystal packing by C-H center dot center dot center dot O interactions. The crystal was found to be a combined non-merohedral and racemic twin (twin law (1) over bar 00/0 (1) over bar0/001), with the fractional contribution of the minor components being approximately 9 and 28%.

Publication Title

Acta Crystallographica Section E: Structure Reports Online

ISSN

1600-5368

Volume

66

Issue

10

Publisher

International Union of Crystallography

Publisher Location

COMMERCE PLACE, 350 MAIN ST, MALDEN 02148, MA USA

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