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4-(1,3-Benzodioxol-5-yl)-2-oxo-1,2,5,6-tetra-hydro-benzo[h]quinoline-3-carbo-nitrile.

ABSTRACT: In the mol-ecule of the title compound, C(21)H(14)N(2)O(3), 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 24.3?(1)°. The ring of the benzodioxol system is bent away from the pyridine ring by 61.4?(1)° in order to avoid crowding the cyanide substituent. Two mol-ecules are linked by a pair of N-H?O hydrogen bonds to form a centrosymmetric dimer.

SUBMITTER: Asiri AM

PROVIDER: S-EPMC3200803 | biostudies-other | 2011 Sep

REPOSITORIES: biostudies-other

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4-(1,3-Benzodioxol-5-yl)-2-oxo-1,2,5,6-tetra-hydro-benzo[h]quinoline-3-carbo-nitrile.

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(21)H(14)N(2)O(3), 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 24.3 (1)°. The ring of the benzodioxol system is bent away from the pyridine ring by 61.4 (1)° in order to avoid crowding the cyanide substituent. Two mol-ecules are linked by a pair of N-H⋯O hydrogen bonds to form a centrosymmetric dimer. ...[more]

PMID: 22064284

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