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Crystal structure of 2,4-diamino-5-(4-hydroxy-3-methoxyphenyl)-8,8-dimethyl-6-oxo-6,7,8,9-tetrahydro-5H-chromeno[2,3-b]pyridine-3-carbonitrile–dimethylformamide–water (1/1/1)

ABSTRACT:

SUBMITTER: Metwally N

PROVIDER: S-EPMC10993592 | biostudies-literature | 2024 Mar

REPOSITORIES: biostudies-literature

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Crystal structure of 5-benzoyl-2,4-di-phenyl-4,5-di-hydro-furan-3-carbo-nitrile.

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rac-3-(4-Chloro-phen-yl)-3a,4-di-hydro-3H-chromeno[4,3-c]isoxazole-3a-carbo-nitrile.

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10-Methyl-2-oxo-4-phenyl-2,11-di-hydro-pyrano[2,3-a]carbazole-3-carbo-nitrile.

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3-Eth-oxy-2-hy-droxy-benzaldehyde 2,4-di-nitro-phenylhydrazone N,N-di-methyl-formamide monosolvate.

Project description:The Schiff base of the title compound, C(15)H(14)N(4)O(6)·C(3)H(7)NO, was obtained from the condensation reaction of 3-eth-oxy-2-hy-droxy-benzaldehyde and 2,4-dinitro-phenyl-hydrazine. The dihedral angle between the benzene rings is 3.05 (10)° and intra-molecular N-H⋯O and O-H⋯O hydrogen bonds generate S(6) and S(5) ring motifs, respectively. In the crystal, the Schiff base and dimethyl-formamide solvent mol-ecules are linked by an O-H⋯O hydrogen bond.

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Project description:The asymmetric unit of the title compound, C(21)H(13)N(3)O(2), contains two independent mol-ecules with a similar structure. In one mol-ecule, the central benzene ring is oriented with respect to the terminal benzene rings at 27.23 (7) and 67.96 (7)°; in the other mol-ecule, the corresponding dihedral angles are 12.42 (7) and 64.55 (7)°. In both molecules, there is a short O-H⋯N interaction involving the OH group and the adjacent N atom. In the crystal, there are O-H⋯N hydrogen bonds, and C-H⋯O and N-H⋯O interactions linking the molecules to form a three-dimensional network. π-π stacking between the pyridine and benzene rings and between the benzene rings [centroid-centroid distances = 3.989 (2), 3.705 (2) and 3.607 (2) Å] may further stabilize the structure. A weak C-H⋯π inter-action is present in the crystal.

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8-Bromo-3-phenyl-3a,4-dihydro-3H-chromeno[4,3-c]isoxazole-3a-carbo-nitrile.

Project description:In the title compound, C(17)H(11)BrN(2)O(2), the five-membered isoxazole ring has an envelope conformation with the C atom bearing the phenyl ring as the flap. The pyran ring has a half-chair conformation. In the chromeno ring system, the dihedral angle between the mean plane of the pyran ring and the benzene ring is 4.68 (2)°. The dihedral angle between the mean planes of the chromeno ring system and the isoxazole ring is 13.79 (15)°. The latter forms a dihedral angle of 34.10 (17)° with the phenyl ring. In the crystal, mol-ecules are linked by C-H⋯N hydrogen bonds, forming an undulating two-dimensional network parallel to the ab plane.

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Crystal structures of 2-benzyl-amino-4-(4-bromo-phen-yl)-6,7,8,9-tetra-hydro-5H-cyclo-hepta-[b]pyridine-3-carbo-nitrile and 2-benzyl-amino-4-(4-chloro-phen-yl)-6,7,8,9-tetra-hydro-5H-cyclo-hepta[b]pyridine-3-carbo-nitrile.

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