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1-Benzoyl-3-[3-cyano-8-methyl-4-(1-methyl-1H-pyrrol-2-yl)-5,6,7,8-tetra-hydro-quinolin-2-yl]thio-urea.

ABSTRACT: In the N-substituted benzoyl-thio-urea, C(24)H(23)N(5)OS, the benzoyl-thio-urea unit is non-planar (r.m.s. deviation = 0.126?Å). The aliphatic part of the tetra-hydro-quinoline fused-ring system is disordered over two positions in a 0.592?(5):0.408?(5) ratio. The pyridine and pyrrole rings are twisted by 55.2?(1)° in order to avoid crowding of their respective substituents. Pairs of mol-ecules are linked by N-H?N hydrogen bonds, forming centrosymmetric dimers. Furthermore, an intra-molecular N-H?O hydrogen bond stabilizes the mol-ecular conformation.

SUBMITTER: Asiri AM

PROVIDER: S-EPMC3200694 | biostudies-literature | 2011 Sep

REPOSITORIES: biostudies-literature

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1-Benzoyl-3-[3-cyano-8-methyl-4-(1-methyl-1H-pyrrol-2-yl)-5,6,7,8-tetra-hydro-quinolin-2-yl]thio-urea.

Asiri Abdullah M AM Faidallah Hassan M HM Al-Youbi Abdulrahman O AO Alamry Khalid A KA Ng Seik Weng SW

Acta crystallographica. Section E, Structure reports online 20110827 Pt 9

In the N-substituted benzoyl-thio-urea, C(24)H(23)N(5)OS, the benzoyl-thio-urea unit is non-planar (r.m.s. deviation = 0.126 Å). The aliphatic part of the tetra-hydro-quinoline fused-ring system is disordered over two positions in a 0.592 (5):0.408 (5) ratio. The pyridine and pyrrole rings are twisted by 55.2 (1)° in order to avoid crowding of their respective substituents. Pairs of mol-ecules are linked by N-H⋯N hydrogen bonds, forming centrosymmetric dimers. Furthermore, an intra-molecular N-H ...[more]

PMID: 22064903

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