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2-Bromo-ethyl 2-chloro-6-methyl-quinoline-3-carboxyl-ate.

ABSTRACT: In the title compound, C(13)H(11)BrClNO(2), the two rings of the quinoline group are fused in an axial fashion at a dihedral angle of 1.28 (9)°. In the crystal, molecules are arranged in zigzag layers along the c axis. The crystal packing is stabilized by weak C-H⋯O hydrogen bonds and inter-molecular inter-actions between Br and O atoms [Br⋯O= 3.076 (2) Å], resulting in the formation of a three-dimensional network.

SUBMITTER: Benzerka S

PROVIDER: S-EPMC2983929 | biostudies-literature |

REPOSITORIES: biostudies-literature

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Crystal structure of ethyl 2-chloro-6-methyl-quinoline-3-carboxyl-ate.

Project description:In the title compound, C13H12ClNO2, the dihedral angle between the planes of the quinoline ring system (r.m.s. deviation = 0.029 Å) and the ester group is 54.97 (6)°. The C-O-C-Cm (m = meth-yl) torsion angle is -140.62 (16)°. In the crystal, mol-ecules inter-act via aromatic π-π stacking [shortest centroid-centroid separation = 3.6774 (9) Å] generating (010) sheets.

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Ethyl 2-methyl-4-phenyl-quinoline-3-carboxyl-ate.

Project description:In the mol-ecule of the title compound, C(19)H(17)NO(2), the quinoline ring system is planar [maximum deviation 0.021 (3) Å] and oriented with respect to the phenyl ring at a dihedral angle of 80.44 (4)°. Intra-molecular C-H⋯O inter-actions result in the formation of five- and six-membered rings having planar and envelope conformations, respectively. In the crystal structure, inter-molecular C-H⋯O inter-actions link the mol-ecules into centrosymmetric dimers forming R(2) (2)(12) ring motifs. π-π contacts between the rings of the quinoline system [centroid-to-centroid distance = 3.812 (1) Å] may further stabilize the structure. Two weak C-H⋯π inter-actions are also found.

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Project description:In the title compound, C(18)H(14)ClNO(2), the quinoline ring system is planar (r.m.s. deviation = 0.032?Å) and the phenyl ring is twisted away from it by 57.5?(1)°. The crystal structure is stabilized by weak C-H?? inter-actions.

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Ethyl 6-chloro-2-methyl-4-phenyl-quinoline-3-carboxyl-ate.

Project description:In the title compound, C(19)H(16)ClNO(2), the quinoline ring system is planar (r.m.s. deviation = 0.008?Å). The phenyl group and the -CO(2) fragment of the ester unit form dihedral angles of 60.0?(1) and 60.5?(1)°, respectively, with the quinoline ring system.

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Crystal structure of ethyl 2,4-di-chloro-quinoline-3-carboxyl-ate.

Project description:In the crystal structure of the title compound, C12H9Cl2NO2, the mean planes through the quinoline and carboxyl-ate groups have r.m.s. deviations of 0.006 and 0.021?Å, respectively, and form a dihedral angle of 87.06?(19)°. In the crystal, mol-ecules are linked via very weak C-H?O hydrogen bonds, forming chains, which propagate along the c-axis direction.

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Ethyl 4-(4-chloro-phen-yl)-2-methyl-5-oxo-5,6,7,8-tetra-hydro-quinoline-3-carboxyl-ate.

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Ethyl 6-chloro-2-oxo-4-phenyl-1,2-dihydro-quinoline-3-carboxyl-ate.

Project description:In the title compound, C(18)H(14)ClNO(3), the dihydro-quinolin-2-one ring system is almost planar (r.m.s. deviation = 0.033?Å). The carboxyl-ate plane and the phenyl group are twisted away from the dihydro-quinolin-2-one ring system by 50.3?(1) and 64.9?(1)°, respectively. In the crystal structure, inversion-related mol-ecules form R(2) (2)(8) dimers via pairs of N-H?O hydrogen bonds.

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Ethyl 3,7-dichloro-quinoline-8-carboxyl-ate.

Project description:The title compound, C(12)H(9)Cl(2)NO(2), was prepared by the esterification of 3,7-dichloro-quinoline-8-carboxylic acid with triethyl phosphite. The crystal structure is stabilized by aromatic π-π stacking between the benzene and the pyridine rings of neighbouring mol-ecules [centroid-centroid distances = 3.716 (2) and 3.642 (2) Å]. In addition, weak inter-molecular C-H⋯N hydrogen bonds are present in the structure.

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Project description:In the title compound, C17H12ClNO2, the dihedral angle between the mean planes of the quinoline ring system and the benzene ring is 68.7?(7)°. The mean plane of the carboxyl-ate group is twisted from the latter planes by 14.0?(1) and 80.2?(4)°, respectively. In the crystal, weak C-H?O inter-actions are observed, forming chains along [001]. In addition, ?-? stacking inter-actions [centroid-centroid distances = 3.8343?(13) and 3.7372?(13)Å] occur. No classical hydrogen bonds were observed.

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Ethyl 3-bromo-1-(3-chloro-pyridin-2-yl)-1H-pyrazole-5-carboxyl-ate.

Project description:The title compound, C(11)H(9)BrClN(3)O(2), is an inter-mediate in the synthesis of Rynaxypyre, a new insecticidal anthranilic diamide used as a potent and selective ryanodine receptor activator. The dihedral angle between the aromatic ring planes is 78.7 (2)°.

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