Research Article: N-[2,4-Dioxo-3-aza­tricyclo­[,13]trideca-1(13),5,7,9,11-pentaen-3-yl]thio­urea

Date Published: June 01, 2012

Publisher: International Union of Crystallography

Author(s): Rashad Al-Salahi, Mohamed Al-Omar, Mohamed Marzouk, Seik Weng Ng.


In the two independent mol­ecules in the asymmetric unit of the title compound, C13H9N3O2S, the aza­tricyclo­trideca­penta­ene ring system is approximately planar with r.m.s. deviations of 0.022 and 0.033 Å. The urea unit connected to the fused rings is approximately perpendicular [dihedral angles = 82.4 (1) and 82.7 (1)°]. In the crystal, the mol­ecules associate by N—H⋯O hydrogen bonds, forming a chain running along the a axis. The crystal studied was a non-merohedral twin with a fractional contribution of 49.6 (1)% for the minor domain.

Partial Text

For background to the class of anti­tumor drugs, see; Pessoa et al. (2010 ▶).




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