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Crystal structure of 2-amino-7-hy-droxy-4-(4-hy-droxy-phen-yl)-4H-chromene-3-carbo-nitrile.

ABSTRACT: In the title compound, C16H12N2O3, the chromene ring system is nearly planar [maximum deviation from the mean plane = 0.057?(1)?Å], and is almost perpendicular to the benzene ring, with a dihedral angle of 85.29?(5)°. In the crystal, mol-ecules are linked by classical N-H?O, O-H?O and O-H?N hydrogen bonds, and weak C-H?O hydrogen bonds, forming a three-dimensional supra-molecular network. Furthermore, a weak ?-? stacking inter-action is observed; the centroid-to-centroid distance is 3.7260?(7)?Å.

SUBMITTER: Horton PN

PROVIDER: S-EPMC4571389 | biostudies-literature | 2015 Aug

REPOSITORIES: biostudies-literature

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Crystal structure of 2-amino-7-hy-droxy-4-(4-hy-droxy-phen-yl)-4H-chromene-3-carbo-nitrile.

Horton Peter N PN Akkurt Mehmet M Mohamed Shaaban K SK Younes Sabry H H SH Albayati Mustafa R MR

Acta crystallographica. Section E, Crystallographic communications 20150708 Pt 8

In the title compound, C16H12N2O3, the chromene ring system is nearly planar [maximum deviation from the mean plane = 0.057 (1) Å], and is almost perpendicular to the benzene ring, with a dihedral angle of 85.29 (5)°. In the crystal, mol-ecules are linked by classical N-H⋯O, O-H⋯O and O-H⋯N hydrogen bonds, and weak C-H⋯O hydrogen bonds, forming a three-dimensional supra-molecular network. Furthermore, a weak π-π stacking inter-action is observed; the centroid-to-centroid distance is 3.7260 (7) Å ...[more]

PMID: 26396789

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