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3-Ethyl 5-methyl 4-(2,3-dichloro-phen-yl)-2,6-dimethyl-pyridine-3,5-dicarboxyl-ate.

ABSTRACT: In the title compound, C(18)H(17)Cl(2)NO(4), an oxidation product of felodipine, the dihedral angle between the benzene and pyridine rings is 75.3?(4)°. The crystal structure is stabilized by intermolecular C-H?O interactions.

SUBMITTER: Luo J

PROVIDER: S-EPMC2983690 | biostudies-literature | 2010 Feb

REPOSITORIES: biostudies-literature

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3-Ethyl 5-methyl 4-(2,3-dichloro-phen-yl)-2,6-dimethyl-pyridine-3,5-dicarboxyl-ate.

Luo Jing J Chen Hui H Wang Qiao-Feng QF Liu Hai-Jing HJ

Acta crystallographica. Section E, Structure reports online 20100206 Pt 3

In the title compound, C(18)H(17)Cl(2)NO(4), an oxidation product of felodipine, the dihedral angle between the benzene and pyridine rings is 75.3 (4)°. The crystal structure is stabilized by intermolecular C-H⋯O interactions. ...[more]

PMID: 21580309

Similar Datasets

Dimethyl 2,6-dimethyl-4-(2-nitro-phen-yl)pyridine-3,5-dicarboxyl-ate.

Project description:The title compound, C(17)H(16)N(2)O(6), is a decomposition product of the hypertension drug nifedipine [systematic name: dimethyl 2,6-dimethyl-4-(2-nitro-phen-yl)-1,4-dihydro-pyridine-3,5-dicarboxyl-ate]. The dihedral angle between the nitro-sophenyl ring and the pyridine ring is 67.1 (5)°.

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Dimethyl 2,6-dimethyl-1,4-dihydro-pyridine-3,5-dicarboxyl-ate.

Project description:In the crystal of the title compound, C(11)H(15)NO(4), the mol-ecules are linked into sheets by N-H?O and C-H?O hydrogen bonds. Within the mol-ecule, the 1,4-dihydro-pyridine ring exhibits a distinctive planar conformation [r.m.s. deviation from the mean plane of 0.009?(3)Å], and the other non-H atoms are almost coplanar [r.m.s. deviation = 0.021?(3)?Å] with the 1,4-dihydro-pyridine ring. The conformation of the latter is governed mainly by two intra-molecular C-H?O non-classical inter-actions.

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Dimethyl 2,6-dimethyl-4-phenyl-pyridine-3,5-dicarboxyl-ate.

Project description:In the title compound, C(17)H(17)NO(4), the dihedral angle between the benzene and pyridine rings is 75.51 (4)°. The benzene and pyridine rings are both approximately planar (r.m.s. deviations of 0.0040 and 0.0083 Å, respectively), indicating that the pyridine N atom is not protonated. The crystal structure is stabilized by weak inter-molecular C-H⋯O and C-H⋯N inter-actions.

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Dimethyl 4-(3,4-dimethoxy-phen-yl)-2,6-dimethyl-1,4-dihydro-pyridine-3,5-dicarboxyl-ate.

Project description:In the title compound, C(19)H(23)NO(6), the 1,4-dihydro-pyridine ring is twisted slightly from planarity, with a maximum deviation of 0.101?(1)?Å, and adopts a very flattened boat conformation. The dihedral angle formed between the plane through the four C atoms of the 1,4-dihydro-pyridine ring and the benzene ring is 84.67?(7)°. In the crystal structure, inter-molecular N-H?O and C-H?O hydrogen bonds link the mol-ecules into a three-dimensional network.

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Dimethyl 4-(4-ethoxy-phen-yl)-2,6-dimethyl-1,4-dihydro-pyridine-3,5-dicarboxyl-ate.

Project description:In the title mol-ecule, C(19)H(23)NO(5), the dihedral angle formed by the benzene ring and the planar part of the dihydro-pyridine ring is 83.52 (5)°. The dihydro-pyridine ring adopts a flattened boat conformation. In the crystal, mol-ecules are linked by N-H⋯O hydrogen bonds, generating chains running parallel to [100]. The crystal structure is consolidated by C-H⋯O contacts.

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Dimethyl 1,4-dihydro-4-(4-methoxy-phen-yl)-2,6-dimethyl-pyridine-3,5-dicarboxyl-ate.

Project description:In the title compound, C(18)H(21)NO(5), the dihydro-pyridine ring adopts a flattened-boat conformation and its planar part forms a dihedral angle of 84.60 (2)° with the benzene ring. In the crystal, inter-molecular N-H⋯O and C-H⋯O hydrogen bonds result in the formation of zigzag layers parallel to (001). These layers are inter-connected via C-H⋯π inter-actions.

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Diethyl 4-[4-(dimethyl-amino)phen-yl]-2,6-dimethyl-1,4-dihydro-pyridine-3,5-dicarboxyl-ate.

Project description: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 linked into chains via inter-molecular N-H?O hydrogen bonds.

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Dimethyl 4-(4-hy-droxy-phen-yl)-2,6-dimethyl-1,4-dihydro-pyridine-3,5-dicarboxyl-ate.

Project description:The title mol-ecule, C(17)H(19)NO(5), was prepared by a Hantzsch dihydro-pyridine synthesis from 4-hy-droxy-benzaldehyde, methyl acetoacetate and NH(4)HCO(3). In the mol-ecular structure of the title compound, the dihydro-pyridine ring adopts a flattened boat conformation and the plane of the base of the boat forms a dihedral angle of 80.8 (2)° with the aromatic six-membered ring. The packing is stabilized by strong inter-molecular N-H⋯O(carbon-yl), O(hydrox-y)-H⋯O(carbon-yl) and weak intra-molecular C-H⋯O hydrogen bonds.

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Diethyl 4-(2,4-dichloro-phen-yl)-2,6-dimethyl-1,4-dihydro-pyridine-3,5-dicarboxyl-ate.

Project description:In the title compound, C(19)H(21)Cl(2)NO(4), the dihydro-pyridine ring adopts a flattened boat conformation. The dichloro-phenyl ring is oriented almost perpendicular to the planar part of the dihydro-pyridine ring [dihedral angle = 89.1?(1)°]. An intra-molecular C-H?O hydrogen bond is observed. In the crystal structure, mol-ecules are linked into chains along the b axis by N-H?O hydrogen bonds.

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Diethyl 4-(4-cyano-phen-yl)-2,6-dimethyl-1,4-dihydro-pyridine-3,5-dicarboxyl-ate.

Project description:In the title compound, C(20)H(22)N(2)O(4), the dihedral angle between the roughly planar dihydro-pyridine ring (r.m.s. deviation = 0.092?Å) and the benzene ring is 87.09?(6)°. One of the eth-oxy side chains is disordered over two orientations in a 0.669?(14):0.331?(14) ratio. In the crystal, mol-ecules are linked by N-H?N hydrogen bonds, generating chains.

| S-EPMC2979369 | biostudies-literature

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