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(1R,2S)-Methyl 1-(4-chloro-phen-yl)-3-oxo-1,2,3,4-tetra-hydro-cyclo-penta-[b]indole-2-carboxyl-ate 0.2-hydrate.

ABSTRACT: The title compound, C(19)H(14)ClNO(3)·0.2H(2)O, crystallizes with five mol-ecules and a disordered water mol-ecule in the asymmetric unit. Four of the five mol-ecules form hydrogen-bonded dimers via N-H?O hydrogen bonds towards another symmetry-independent mol-ecule, whereas the fifth mol-ecule forms a hydrogen-bonded dimer with its symmetry equivalent, also via N-H?O hydrogen bonds. The dihedral angle between the planes of the fused benzene ring and the five-membered ring to which it is attached is 79.45?(13), 49.00?(15), 72.49?(16), 81.91?(18) and 76.38?(16)° for the five mol-ecules in the asymmetric unit.

SUBMITTER: Raja S

PROVIDER: S-EPMC3247393 | biostudies-literature | 2011 Nov

REPOSITORIES: biostudies-literature

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(1R,2S)-Methyl 1-(4-chloro-phen-yl)-3-oxo-1,2,3,4-tetra-hydro-cyclo-penta-[b]indole-2-carboxyl-ate 0.2-hydrate.

Raja Sadiya S Bolte Michael M

Acta crystallographica. Section E, Structure reports online 20111022 Pt 11

The title compound, C(19)H(14)ClNO(3)·0.2H(2)O, crystallizes with five mol-ecules and a disordered water mol-ecule in the asymmetric unit. Four of the five mol-ecules form hydrogen-bonded dimers via N-H⋯O hydrogen bonds towards another symmetry-independent mol-ecule, whereas the fifth mol-ecule forms a hydrogen-bonded dimer with its symmetry equivalent, also via N-H⋯O hydrogen bonds. The dihedral angle between the planes of the fused benzene ring and the five-membered ring to which it is attache ...[more]

PMID: 22220011

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