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. 2012 Jun 1;68(Pt 6):o1811.
doi: 10.1107/S1600536812021812. Epub 2012 May 19.

N-[2,4-Dioxo-3-aza-tricyclo-[7.3.1.0(5,13)]trideca-1(13),5,7,9,11-pentaen-3-yl]thio-urea

Rashad Al-Salahi, Mohamed Al-Omar, Mohamed Marzouk, Seik Weng Ng

N-[2,4-Dioxo-3-aza-tricyclo-[7.3.1.0(5,13)]trideca-1(13),5,7,9,11-pentaen-3-yl]thio-urea

Rashad Al-Salahi et al. Acta Crystallogr Sect E Struct Rep Online. .

Abstract

In the two independent mol-ecules in the asymmetric unit of the title compound, C(13)H(9)N(3)O(2)S, the aza-tricyclo-trideca-penta-ene 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 mol-ecules 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.

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Figures

Fig. 1.
Fig. 1.
Anisotropic displacement ellipsoid plot (Barbour, 2001) of the two independent molecules of C13H9N3O2S at the 70% probability level; hydrogen atoms are drawn as spheres of arbitrary radius.
See this image and copyright information in PMC

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