Diethyl 2,6-dimethyl-4-[4-(3-phenylacryloyloxy)phenyl]-1,4-dihydropyridine-3,5-dicarboxylate hemihydrate
نویسندگان
چکیده
In the title ester derivative, C28H29NO6·0.5H2O, the 1,4-dihydro-pyridine ring has a flattened boat conformation. The mean plane is almost perpendicular to the attached benzene ring, making a dihedral angle of 86.87 (9)°. The terminal phenyl ring is inclined to the central benzene ring by 67.56 (12)°. In the crystal, mol-ecules are bridged via O-H⋯O hydrogen bonds involving the partially occupied water mol-ecule, and this arrangement is strengthened by a pair of N-H⋯O hydrogen bonds and C-H⋯O inter-actions. The ethyl atoms of one of the ethyl ester groups are disordered over two sites with an occupancy ratio of 0.716 (5):0.284 (5).
منابع مشابه
Diethyl 2,6-dimethyl-4-[5-(4-methylphenyl)-1H-pyrazol-4-yl]-1,4-dihydropyridine-3,5-dicarboxylate
In the title compound, C23H27N3O4, the dihydro-pyridine ring adopts a (1,4)B conformation. Intra-molecular C-H⋯O contacts occur. In the crystal, N-H⋯O and N-H⋯N hydrogen bonds and C-H⋯N contacts connect the mol-ecules into strands along the a-axis direction.
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In the title compound, C(20)H(25)NO(4), the 1,4-dihydro-pyridine ring adopts a flattened-boat conformation and forms a dihedral angle of 89.77 (8)° with the benzene ring. Inter-molecular N-H⋯O hydrogen bonds result in the formation of extended chains parallel to the b axis.
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In the title compound, C(21)H(28)N(2)O(4), the dihydro-pyridine ring adopts a flattened boat conformation. The mean plane of the dihydro-pyridine ring and the attached benzene ring form a dihedral angle of 85.1 (1) Å. One of two ethyl fragments is disordered between two conformations in a 0.67 (4):0.33 (4) ratio. In the crystal structure, mol-ecules related by translation along the a axis are l...
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In the title compound, C(18)H(22)N(2)O(4), the dihedral angle between the two rings is 87.90 (6)°. The mean devation of the atoms in the dihydropyridine plane is 0.082 (3) Å. In the crystal, mol-ecules are linked by inter-molecular N-H⋯N hydrogen bonds, generating chains.
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In the title compound, C21H23N3O4S·H2O, the methyl-sulfanyl group is disordered over two sets of sites with site-occupancy factors of 0.631 (11) and 0.369 (11). The dihydro-pyridine ring adopts an E4 conformation. In the crystal, classical O-H⋯N, O-H⋯O and N-H⋯O hydrogen bonds, as well as C-H⋯O and C-H⋯S contacts, connect the mol-ecules into a three-dimensional network.
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عنوان ژورنال:
دوره 69 شماره
صفحات -
تاریخ انتشار 2013