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4'-Cyano-biphenyl-4-yl 7-diethyl-amino-2-oxo-2H-chromene-3-carboxyl-ate.

ABSTRACT: In the title compound, C(27)H(22)N(2)O(4), the dihedral angles between the central benzene ring and the cyano-benzene ring and the 2H-coumarin ring system (r.m.s. deviation = 0.014?Å) are 22.95?(11) and 75.59?(8)°, respectively. Both terminal C atoms of the pendant diethyl-amino group lie to the same side of the coumarin ring system [deviations = 1.366?(2) and 1.266?(2)?Å]. In the crystal, mol-ecules are linked by C-H?O and C-H?N hydrogen bonds and a C-H?? inter-action, generating a three-dimensional network.

SUBMITTER: Sreenivasa S

PROVIDER: S-EPMC3569796 | biostudies-literature |

REPOSITORIES: biostudies-literature

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Menthyl 2-oxo-2H-chromene-3-carboxyl-ate.

Project description:The title compound, C(20)H(24)O(4), was synthesized from the reaction of 2-oxo-2H-chromene-3-acyl chloride and menthol. The mean plane of the ester group and that of the four essentially planar (maximum deviation 0.0112?Å) C atoms of the chair-form cyclo-hexyl ring form dihedral angles of 43.8?(3) ° and 81.8?(1)°, respectively, with the mean plane of the coumarin ring system. In the crystal structure, weak inter-molecular C-H?O hydrogen bonds connect the mol-ecules into a two-dimensional network.

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Cinnamyl 2-oxo-2H-chromene-3-carboxyl-ate.

Project description:The title compound, C(19)H(14)O(4), was prepared by the reaction of 2-oxo-2H-chromene-3-acyl chloride with cinnamic alcohol. The whole mol-ecule is not planar, the dihedral angle between the planes of coumarin and benzene rings being 13.94?(4)°, but the plane of the coumarin ring and that of the ester group are almost coplanar, making a dihedral angle of 2.9?(1)°. In the crystal structure, weak inter-molecular C-H?O hydrogen bonds link two mol-ecules into dimers, and ?-? stacking inter-actions between inversion-related rings of the coumarin groups [centroid-centroid distance 3.8380?(15)?Å with a slippage of 1.535?Å], which connect the dimers into columns extending along [010].

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Project description:The asymmetric unit of the title compound, C(14)H(17)N(3)O(3), contains two independent mol-ecules with different conformations of the ethyl groups. In the crystal, inter-molecular N-H?O hydrogen bonds link the mol-ecules into ribbons extending along the a axis.

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Project description:In the crystal structure of the title compound, C(20)H(16)O(5), the mol-ecule assumes an E configuration with the benzene ring and chromenecarboxyl group located on opposite ends of the C=C double bond. The chromene ring system and benzene ring are oriented at a dihedral angle of 74.66?(12)°. Weak inter-molecular C-H?O hydrogen bonding is present in the crystal structure.

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