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9-(Thio-phen-2-yl)-8,9-dihydro-3H-pyrazolo-[4,3-f]quinolin-7(6H)-one ethanol monosolvate.

ABSTRACT: In the title compound, C(14)H(11)N(3)OS·C(2)H(5)OH, the dihedral angle between the pyridine N-C(fused)-C(fused)-C(thio-phene) plane and the plane of the thio-phene ring is 81.9?(3)°, indicating that they are close to perpendicular. The dihedral angle between this pyridine plane and the benzene ring is 1.3?(3)°. The thio-phene ring is disordered over two coplanar orientations with an occupancy ratio of 0.692?(7):0.308?(7), while the ethanol solvent mol-ecule is also disordered over two sets of site in a 0.66?(4):0.34?(4) ratio. In the crystal, chains are formed along the b axis by N-H?O and O-H?N inter-actions with adjacent chains being connected through C-H?N and C-H?S inter-actions.

SUBMITTER: Peng J

PROVIDER: S-EPMC3435639 | biostudies-literature | 2012 Sep

REPOSITORIES: biostudies-literature

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9-(Thio-phen-2-yl)-8,9-dihydro-3H-pyrazolo-[4,3-f]quinolin-7(6H)-one ethanol monosolvate.

Peng Juhua J Jia Runhong R

Acta crystallographica. Section E, Structure reports online 20120801 Pt 9

In the title compound, C(14)H(11)N(3)OS·C(2)H(5)OH, the dihedral angle between the pyridine N-C(fused)-C(fused)-C(thio-phene) plane and the plane of the thio-phene ring is 81.9 (3)°, indicating that they are close to perpendicular. The dihedral angle between this pyridine plane and the benzene ring is 1.3 (3)°. The thio-phene ring is disordered over two coplanar orientations with an occupancy ratio of 0.692 (7):0.308 (7), while the ethanol solvent mol-ecule is also disordered over two sets of si ...[more]

PMID: 22969512

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