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(4R,7S)-2-Amino-4-(3,4-dimeth-oxy-phen-yl)-5-oxo-7-phenyl-5,6,7,8-tetra-hydro-4H-chromene-3-carbonitrile monohydrate.

ABSTRACT: The title compound, C(24)H(22)N(2)O(4)·H(2)O, was obtained by the reaction of 3,4-dimeth-oxy-benzaldehyde, malononitrile and 5-phenyl-cyclo-hexane-1,3-dione. The cyclo-hexyl and pyran rings show half-boat and V-shaped conformations, respectively. The dihedral angle between the phenyl and benzene ring planes is 30.67?(9)°. The organic mol-ecules are packed in a two-dimensional network parallel to the bc plane stabilized by inter-molecular N-H?N and N-H?O hydrogen bonds.

SUBMITTER: Sun R

PROVIDER: S-EPMC3275081 | biostudies-other | 2012 Feb

REPOSITORIES: biostudies-other

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(4R,7S)-2-Amino-4-(3,4-dimeth-oxy-phen-yl)-5-oxo-7-phenyl-5,6,7,8-tetra-hydro-4H-chromene-3-carbonitrile monohydrate.

Sun Rong R Wu Dong-Dong DD Wang Ke K Huang Wei W Ou Yang-Bing YB

Acta crystallographica. Section E, Structure reports online 20120114 Pt 2

The title compound, C(24)H(22)N(2)O(4)·H(2)O, was obtained by the reaction of 3,4-dimeth-oxy-benzaldehyde, malononitrile and 5-phenyl-cyclo-hexane-1,3-dione. The cyclo-hexyl and pyran rings show half-boat and V-shaped conformations, respectively. The dihedral angle between the phenyl and benzene ring planes is 30.67 (9)°. The organic mol-ecules are packed in a two-dimensional network parallel to the bc plane stabilized by inter-molecular N-H⋯N and N-H⋯O hydrogen bonds. ...[more]

PMID: 22347026

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