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Crystal structure of 3-amino-1-(4-meth-oxy-phen-yl)-1H-benzo[f]chromene-2-carbo-nitrile.

ABSTRACT: In the title compound, C21H16N2O2, the meth-oxy-benzene ring is almost perpendicular to the mean plane of the naphthalene ring system, making a dihedral angle of 83.62 (5)°. The 4H-pyran ring fused with the naphthalene ring system is almost planar [maximum deviation = 0.033 (1) Å]. In the crystal, mol-ecules are linked into inversion dimers by pairs of N-H⋯N hydrogen bonds. N-H⋯O hydrogen bonds connect the dimers, forming a helical supra-molecular chain along the a-axis direction. The crystal packing also features C-H⋯π inter-actions.

SUBMITTER: Mohamed SK

PROVIDER: S-EPMC4518947 | biostudies-literature | 2015 Jul

REPOSITORIES: biostudies-literature

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Crystal structure of 3-amino-1-(4-meth-oxy-phen-yl)-1H-benzo[f]chromene-2-carbo-nitrile.

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

Acta crystallographica. Section E, Crystallographic communications 20150613 Pt 7

In the title compound, C21H16N2O2, the meth-oxy-benzene ring is almost perpendicular to the mean plane of the naphthalene ring system, making a dihedral angle of 83.62 (5)°. The 4H-pyran ring fused with the naphthalene ring system is almost planar [maximum deviation = 0.033 (1) Å]. In the crystal, mol-ecules are linked into inversion dimers by pairs of N-H⋯N hydrogen bonds. N-H⋯O hydrogen bonds connect the dimers, forming a helical supra-molecular chain along the a-axis direction. The crystal pa ...[more]

PMID: 26279912

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Crystal structure of 3-amino-1-(4-hy-droxy-phen-yl)-1H-benzo[f]chromene-2-carbo-nitrile.

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Crystal structure of 4-(1H-indol-3-yl)-2-(4-meth-oxy-phen-yl)-6-phenyl-pyridine-3-carbo-nitrile.

Project description:In the title compound, C27H19N3O, the dihedral angles between the plane of the pyridine ring and those of the indole (r.m.s. deviation = 0.018 Å), phenyl and meth-oxy-benzene substituents are 33.60 (6), 25.28 (7) and 49.31 (7)°, respectively. The N atom of the carbo-nitrile group is significantly displaced [0.288 (2) Å] from the plane of the pyridine ring, perhaps due to steric crowding. In the crystal, inversion dimers linked by pairs of N-H⋯Nn (n = nitrile) hydrogen bonds generate R 2 (2)(16) loops. Aromatic π-π stacking [centroid-centroid separation = 3.6906 (7) Å] and very weak C-H⋯π inter-actions are also observed".

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6-Meth-oxy-4-(2,4,5-tri-meth-oxy-phen-yl)-2,2'-bi-pyridine-5-carbo-nitrile.

Project description:In the title 3-cyano-pyridine derivative, C21H19N3O4, the 3-cyano-substituted pyridine ring forms dihedral angles of 2.35 (5) and 41.60 (5)° with the unsubstituted pyridine and 2,4,5-trimeth-oxy-substituted benzene rings, respectively. The dihedral angle between the unsubstituted pyridine and benzene rings is 39.84 (5)°. The meth-oxy groups form Cmeth-yl-O-C-(C,N) torsion angles in the range 0.80 (15)-11.45 (15)°. In the crystal, mol-ecules related by 21 screw axes are linked by weak C-H⋯N hydrogen bonds along [010]. In addition, weak C-H⋯π inter-actions and π-π stacking inter-actions between pyridine rings, with a centroid-centroid distance of 3.6448 (6) Å, are observed.

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2-Amino-4-(4-fluoro-phen-yl)-6-meth-oxy-4H-benzo[h]chromene-3-carbonitrile.

Project description:In the title mol-ecule, C(21)H(15)FN(2)O(2), the dihedral angle between the fluoro-substituted benzene ring and the mean plane of the 4H-benzo[h]chromene ring system [maximum deviation = 0.109?(2)?Å] is 83.35?(7)°. The pyran ring adopts a slight sofa conformation with the tertiary C(H) atom forming the flap. The meth-oxy group is slightly twisted from the attached benzene ring of the 4H-benzo[h]chromene moiety [C-O-C-C = -4.3?(3)°]. In the crystal, mol-ecules are linked by inter-molecular N-H?N hydrogen bonds into infinite wave-like chains along the b axis. The crystal packing is further stabilized by ?-? inter-actions [centroid-centroid distance = 3.7713?(9)?Å].

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