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1-{6-Chloro-2-[(2-chloro-8-methyl-3-quinol-yl)meth-oxy]-4-phenyl-quinolin-3-yl}ethanone.

ABSTRACT: In the title mol-ecule, C(28)H(20)Cl(2)N(2)O(2), the dihedral angle between the 2-chloro-quinoline and 6-chloro-quinoline rings is 7.55?(6)°. The dihedral angle between the phenyl ring and its attached quinoline ring is 62.59?(4)°. In the crystal, aromatic ?-? stacking inter-actions [centroid-centroid distances = 3.771?(3) and 3.612?(3)?Å] help to establish the packing.

SUBMITTER: Khan FN

PROVIDER: S-EPMC3007527 | biostudies-literature | 2010 Jul

REPOSITORIES: biostudies-literature

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1-{6-Chloro-2-[(2-chloro-8-methyl-3-quinol-yl)meth-oxy]-4-phenyl-quinolin-3-yl}ethanone.

Khan F Nawaz FN Hathwar Venkatesha R VR Kumar Rajesh R Kumar A Sudheer AS Akkurt Mehmet M

Acta crystallographica. Section E, Structure reports online 20100707 Pt 8

In the title mol-ecule, C(28)H(20)Cl(2)N(2)O(2), the dihedral angle between the 2-chloro-quinoline and 6-chloro-quinoline rings is 7.55 (6)°. The dihedral angle between the phenyl ring and its attached quinoline ring is 62.59 (4)°. In the crystal, aromatic π-π stacking inter-actions [centroid-centroid distances = 3.771 (3) and 3.612 (3) Å] help to establish the packing. ...[more]

PMID: 21588259

Similar Datasets

1-{6-Chloro-2-[(2-chloro-6-methyl-quinolin-3-yl)meth-oxy]-4-phenyl-quinolin-3-yl}ethanone.

Project description:In the title compound, C(28)H(20)Cl(2)N(2)O(2), the 2-chloro-quinoline and 6-chloro-quinoline ring systems are twisted slightly, making a dihedral angle of 4.05?(3)°. The dihedral angle between the 2-quinoline ring system and the phenyl ring attached to it is 74.43?(5)°. In the crystal structure, a pair of inter-molecular C-H?O hydrogen bonds connect the mol-ecules, forming centrosymmetric dimers with R(2) (2)(16) motifs. The dimers are further consolidated by a C-H?? inter-action and a ?-? stacking inter-action with a centroid-centroid distance of 3.6562?(10)?Å.

| S-EPMC3006731 | biostudies-literature

1-(6-Chloro-2-methyl-4-phenyl-3-quinol-yl)ethanone.

Project description:In the title compound, C(18)H(14)ClNO, the quinoline ring system is approximately planar with a maximum devation of 0.022?(1)?Å and forms a dihedral angle of 62.70?(3)° with the phenyl ring. In the crystal, pairs of C-H?O inter-molecular hydrogen bonds link neighbouring mol-ecules into inversion dimers, forming R(2) (2)(14) ring motifs. These inversion dimers are stacked along the b axis. The structure is further stabilized by C-H?? inter-actions.

| S-EPMC2971397 | biostudies-literature

1-{6-Chloro-2-[(2-chloro-3-quinol-yl)meth-oxy]-4-phenyl-3-quinol-yl}ethan-1-one.

Project description:In the title compound, C(27)H(18)Cl(2)N(2)O(2), the 2-chloro-quinoline and 6-chloro-quinoline rings are almost planar, with maximum deviations from their mean planes of 0.072?(1) and 0.044?(1)?Å, respectively, for the Cl atoms. The inter-planar angle between these rings is 14.36?(5)°. The inter-planar angle between the 6-chloro-quinoline and phenyl rings is 66.00?(8)°. In the crystal, mol-ecules are inter-linked by weak C-H?O, C-H?? and ?-? stacking [centroid-centroid distances = 3.7453?(10) and 3.7557?(9)?Å] inter-actions.

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N-[(2-Chloro-8-methyl-quinolin-3-yl)meth-yl]-4-meth-oxy-aniline.

Project description:In the title compound, C(18)H(17)ClN(2)O, the quinoline ring system is essentially planar; the r.m.s. deviation for the non-H atoms is 0.04?Å with a maximum deviation from the mean plane of 0.026?(4)?Å for the C atom bonded to the -CH(2)- group. The meth-oxy-substituted benzene ring forms a dihedral angle of 70.22?(4)° with this ring system. The crystal structure can be described as zigzag layers in which the quinoline ring systems are parallel to (011) and molecules are connected via inter-molecular N-H?N hydrogen bonds, forming chains along [100]. The crystal studied was an inversion twin with a 0.86?(5):0.14?(5) domain ratio.

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6-Chloro-3-[5-(3-meth-oxy-8-methyl-4-quinol-yl)-1-phenyl-4,5-dihydro-1H-pyrazol-3-yl]-2-methyl-4-phenyl-quinoline.

Project description:In the title compound, C(36)H(29)ClN(4)O, the dihydro-pyrazole ring adopts an envelope conformation. The two quinoline ring systems (r.m.s. deviations = 0.029 and 0.018?Å) are oriented at a dihedral angle of 71.43?(4)°. One of the quinoline rings makes a dihedral angle of 65.40?(7)° with the phenyl substituent. In the crystal, mol-ecules are linked into chains along the b axis by inter-molecular C-H?N hydrogen bonds. In addition, C-H?? and ?-? [centroid-centroid distance = 3.7325?(8)?Å] inter-actions are observed.

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1-[6-Chloro-4-(2-chloro-phen-yl)-2-methyl-3-quinol-yl]ethanone.

Project description:The title compound, C(18)H(13)Cl(2)NO, features an essentially planar quinoline ring system (r.m.s. deviation = 0.023?Å) with the acetyl [C-C-C-O torsion angle = -78.27?(17)°] and benzene [C-C-C-C torsion angle = 110.11?(14)°] substituents being twisted out of the plane; the dihedral angle formed between the mean planes of these two substituents is 58.01?(8)°. The acetyl O and benzene-bound Cl atoms lie to opposite sides of the mol-ecule. Centrosymmetric aggregates mediated by pairs of C-H?O contacts are found in the crystal structure, and these are connected into a two-dimensional array in the (01) plane via Cl?O [3.0508?(11)?Å] inter-actions.

| S-EPMC3007567 | biostudies-literature

1-(2-Methyl-6-nitro-4-phenyl-3-quinol-yl)ethanone.

Project description:In the title compound, C(18)H(14)N(2)O(3), the quinoline ring system is almost planar [maximum deviation = 0.013 (2) Å] and forms a dihedral angle of 60.36 (7)° with the benzene ring. The nitro group is slightly twisted from the attached quinoline ring system, forming a dihedral angle of 9.06 (19)°. In the crystal packing, inter-molecular C-H⋯O hydrogen bonds link the mol-ecules into chains propagating in [010].

| S-EPMC2979093 | biostudies-literature

Crystal structure of 2-meth-oxy-2-[(4-meth-oxy-phen-yl)sulfan-yl]-1-phenyl-ethanone.

Project description:In the title β-thio-carbonyl compound, C16H16O3S, the adjacent meth-oxy and carbonyl O atoms are synperiplanar [the O-C-C-O torsion angle is 19.8 (4)°] and are separated by 2.582 (3) Å. The dihedral angle between the rings is 40.11 (16)°, and the meth-oxy group is coplanar with the benzene ring to which it is connected [the C-C-O-C torsion angle is 179.1 (3)°]. The most notable feature of the crystal packing is the formation of methine and methyl C-H⋯O(carbon-yl) inter-actions that lead to a supra-molecular chain with a zigzag topology along the c axis. Chains pack with no specific inter-molecular inter-actions between them.

| S-EPMC4555440 | biostudies-literature

(E)-1-(4-Methyl-phen-yl)ethanone [8-(trifluoro-meth-yl)quinolin-4-yl]hydrazone.

Project description:In the title compound, C(19)H(16)F(3)N(3), the dihedral angle between the naphthalene and quinoline ring systems is 14.58?(8)°. The hydrazone C-N-N=C-C chain is in an extended conformation and its mean plane is nearly coplanar with the quinoline plane [dihedral angle = 3.45?(9)°]. The bond angles within the phenyl ring show the almost additive influence of the two para substituents. In the crystal, weak ?-? [centroid-centroid distances = 3.779?(2) and 3.718?(1)?Å] and C-H?F directional inter-actions join the mol-ecules into centrosymmetric dimers, which are further connected into infinite zigzag chains propagating along a.

| S-EPMC2984078 | biostudies-literature

(2E)-3-(6-Chloro-2-meth-oxy-quinolin-3-yl)-1-(2,4-di-methyl-quinolin-3-yl)prop-2-en-1-one.

Project description:The mol-ecule of the title compound, C24H19ClN2O2, is bent, with the dihedral angle between the terminal quinoline ring systems being 63.30?(5)°. The quinolinyl residues are connected by an almost planar prop-2-en-1-one bridge (r.m.s. deviation = 0.022?Å), with the dihedral angles between this plane and the appended quinolinyl residues being 75.86?(7) and 38.54?(7)°. The C atom of the meth-oxy group is close to coplanar with its attached ring [deviation = 0.116?(2)?Å]. In the crystal, a three-dimensional architecture is constructed by meth-yl-carbonyl C-H?O inter-actions and ?-? inter-actions between centrosymmetrically related quinolinyl residues [centroid-to-centroid separations 3.5341?(10) and 3.8719?(9)?Å].

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