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2-Oxo-4-(thio-phen-2-yl)-1,2,5,6-tetra-hydro-benzo[h]quinoline-3-carbonitrile.

ABSTRACT: In the mol-ecule of the title compound, C(18)H(12)N(2)OS, the tetra-hydro-benzo[h]quinoline fused-ring system is buckled owing to the ethyl-ene -CH(2)CH(2)- fragment, the benzene ring and the pyridine ring being twisted by 16.0?(1)°. The 4-substituted aromatic ring is bent away from the pyridine ring by 59.5?(2)° (for the major disordered thienyl component) in order to avoid crowding the cyanide substituent. In the crystal, two mol-ecules are linked by a pair of N-H?O hydrogen bonds to form a centrosymmetric dimer. The thienyl ring is disordered over two sites in a 72.7?(2):27.3 ratio.

SUBMITTER: Asiri AM

PROVIDER: S-EPMC3200622 | biostudies-literature | 2011 Sep

REPOSITORIES: biostudies-literature

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2-Oxo-4-(thio-phen-2-yl)-1,2,5,6-tetra-hydro-benzo[h]quinoline-3-carbonitrile.

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 mol-ecule of the title compound, C(18)H(12)N(2)OS, the tetra-hydro-benzo[h]quinoline fused-ring system is buckled owing to the ethyl-ene -CH(2)CH(2)- fragment, the benzene ring and the pyridine ring being twisted by 16.0 (1)°. The 4-substituted aromatic ring is bent away from the pyridine ring by 59.5 (2)° (for the major disordered thienyl component) in order to avoid crowding the cyanide substituent. In the crystal, two mol-ecules are linked by a pair of N-H⋯O hydrogen bonds to form a ce ...[more]

PMID: 22065622

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