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Cis-3-Methyl-1-phenyl-8a,9,10,11,12,12a,12b-hexa-hydro-1H,3bH-pyrazolo[3,4:2',3']pyrano[4',5',6'-kl]xanthene.

ABSTRACT: The asymmetric unit of the title compound, C(23)H(22)N(2)O(2), contains two independent mol-ecules, A and B. The cyclo-hexane ring of mol-ecule B is disordered, with occupancies for the major and minor conformers of 0.570?(9) and 0.430?(9), respectively. The cyclo-hexane ring adopts a boat conformation in mol-ecule A and in the major conformer of mol-ecule B, and a chair conformation in the minor conformer of mol-ecule B. In both independent mol-ecules, one of the dihydro-pyran rings adopts a boat conformation while the other is in a half-chair conformation. The dihedral angle between the pyrazole and phenyl rings is 16.0?(1)° in mol-ecule A and 12.9?(1)° in mol-ecule B. The crystal packing is stabilized by C-H?O and C-H?N inter-molecular hydrogen bonds.

SUBMITTER: Kamala ET

PROVIDER: S-EPMC2915303 | biostudies-literature | 2007 Dec

REPOSITORIES: biostudies-literature

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cis-3-Methyl-1-phenyl-8a,9,10,11,12,12a,12b-hexa-hydro-1H,3bH-pyrazolo[3,4:2',3']pyrano[4',5',6'-kl]xanthene.

Kamala E Theboral Sugi ET Nirmala S S Sudha L L Ramesh E E Raghunathan R R

Acta crystallographica. Section E, Structure reports online 20071212 Pt 1

The asymmetric unit of the title compound, C(23)H(22)N(2)O(2), contains two independent mol-ecules, A and B. The cyclo-hexane ring of mol-ecule B is disordered, with occupancies for the major and minor conformers of 0.570 (9) and 0.430 (9), respectively. The cyclo-hexane ring adopts a boat conformation in mol-ecule A and in the major conformer of mol-ecule B, and a chair conformation in the minor conformer of mol-ecule B. In both independent mol-ecules, one of the dihydro-pyran rings adopts a bo ...[more]

PMID: 21200811

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