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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.

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.

SUBMITTER: Al-Salahi R 

PROVIDER: S-EPMC3379385 | biostudies-literature | 2012 Jun

REPOSITORIES: biostudies-literature

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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.

Al-Salahi Rashad R   Al-Omar Mohamed M   Marzouk Mohamed M   Ng Seik Weng SW  

Acta crystallographica. Section E, Structure reports online 20120519 Pt 6

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 fract  ...[more]

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