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1-(2,2-Di-chloro-acet-yl)-3-ethyl-2,6-di-phenyl-piperidin-4-one.

ABSTRACT: The asymmetric unit of the title compound, C21H21Cl2NO2, contains two independent mol-ecules that show similar geometrical features. The piperidine ring adopts a distorted boat conformation. The phenyl rings substituted at the 2- and 6-positions of the piperidine ring are oriented at angles of 65.4?(1) [64.7?(2)°] and 89.2?(1)° [86.3?(2)°] with respect to the least-squares plane of the piperidine ring. In the crystal, adjacent mol-ecules are linked by a network of C-H?O inter-actions, forming a C(6) chain along the c-axis direction.

SUBMITTER: Sugumar P

PROVIDER: S-EPMC3648321 | biostudies-other | 2013 May

REPOSITORIES: biostudies-other

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1-(2,2-Di-chloro-acet-yl)-3-ethyl-2,6-di-phenyl-piperidin-4-one.

Sugumar P P Kayalvizhi R R Nirmala P P Ponnuswamy S S Ponnuswamy M N MN

Acta crystallographica. Section E, Structure reports online 20130427 Pt 5

The asymmetric unit of the title compound, C21H21Cl2NO2, contains two independent mol-ecules that show similar geometrical features. The piperidine ring adopts a distorted boat conformation. The phenyl rings substituted at the 2- and 6-positions of the piperidine ring are oriented at angles of 65.4 (1) [64.7 (2)°] and 89.2 (1)° [86.3 (2)°] with respect to the least-squares plane of the piperidine ring. In the crystal, adjacent mol-ecules are linked by a network of C-H⋯O inter-actions, forming a ...[more]

PMID: 23723941

Similar Datasets

Crystal structure of 2-chloro-1-(3-ethyl-2,6-di-phenyl-piperidin-1-yl)ethanone.

Project description:In the racemic title compound, C21H24ClNO, the dihedral angle between the planes of the benzene rings is 86.52?(14)° and those between the benzene rings and the piperidine ring are 61.66?(14) and 86.39?(14)°. The piperidine ring adopts a twisted boat conformation. No directional inter-actions could be detected in the crystal.

| S-EPMC4384592 | biostudies-literature

Crystal structure of 1-(2-chloro-acet-yl)-3,3-dimethyl-2,6-di-p-tolyl-piperidin-4-one.

Project description:In the title compound, C23H26ClNO2, the piperidin-4-one ring adopts a distorted boat conformation. The two p-tolyl rings are nearly normal to each other, making a dihedral angle of 83.33?(10)°. They are inclined to the mean plane of the piperidine ring by 73.2?(1) and 87.22?(9)°. In the crystal, there are no significant inter-molecular inter-actions present.

| S-EPMC4350729 | biostudies-literature

Crystal structure of 1-(2-chloro-acet-yl)-2,6-bis-(4-fluoro-phen-yl)-3,3-di-methyl-piperidin-4-one.

Project description:In the title mol-ecule, C21H20ClF2NO2, the piperidine ring adopts a slightly distorted boat conformation. The two benzene rings form a dihedral angle of 87.43?(1)°. A weak intra-molecular C-H?? inter-action is observed. In the crystal, weak C-H?O hydrogen bonds and weak C-H?? inter-actions connect the mol-ecules, forming a three-dimensional network.

| S-EPMC4257194 | biostudies-literature

N-[(2,6-Di-ethyl-phen-yl)carbamo-thio-yl]-2,2-di-phenyl-acetamide.

Project description:In the title compound, C25H26N2OS, the diethyl-substituted benzene ring forms dihedral angles of 67.38?(9) and 55.32?(9)° with the terminal benzene rings. The mol-ecule adopts a trans-cis conformation with respect to the orientations of the di-phenyl-methane and 1,3-di-ethyl-benzene groups with respect to the S atom across the C-N bonds. This conformation is stabilized by an intra-molecular N-H?O hydrogen bond, which generates an S(6) ring. In the crystal, pairs of N-H?S hydrogen bonds link the mol-ecules into inversion dimers, forming R 2 (2)(6) loops. The dimer linkage is reinforced by a pair of C-H?S hydrogen bonds, which generate R 2 (2)(8) loops. Weak C-H?? and ?-? [centroid-centroid seperation = 3.8821?(10)?Å] inter-actions also occur in the crystal structure.

| S-EPMC3685105 | biostudies-literature

2-Chloro-1-(3,3-dimethyl-2,6-di-phenyl-piperidin-1-yl)ethanone.

Project description:In the title compound, C21H24ClNO, the piperidine ring adopts a chair conformation. The two phenyl rings are inclined to one another by 20.7?(1)°, and are inclined to the mean plane of the four planar atoms of the piperidine ring by 87.64?(10) and 70.8?(1)°. The mol-ecular structure features short intra-molecular C-H?Cl and C-H?O contacts. In the crystal, there are no significant inter-molecular inter-actions present.

| S-EPMC3884441 | biostudies-literature

3-Isopropyl-1-{2-[(1-methyl-1H-tetra-zol-5-yl)sulfan-yl]acet-yl}-2,6-di-phenyl-piperidin-4-one hemihydrate.

Project description:In the title compound, C24H27N5O2S·0.5H2O, the piperidine ring adopts a distorted boat conformation. The phenyl rings subtend dihedral angles of 69.7?(1) and 88.7?(1)° with the best plane through the piperidine moiety. In the crystal, symmetry-related mol-ecules are linked through a network of C-H?O and C-H?N inter-actions, the former connecting them into zigzag chains along the c-axis direction and the latter forming an R (2) 2(4)motif. The dimer formation (C-H?N) and the repetition of symmetry-related molecules (C-H?O) along the b-axis direction stabilize the packing mode. The water mol-ecule is located on a twofold rotation axis.

| S-EPMC3884276 | biostudies-literature

Crystal structures of (E)-(3-ethyl-1-methyl-2,6-di-phenyl-piperidin-4-yl-idene)amino phenyl carbonate and (E)-(3-isopropyl-1-methyl-2,6-di-phenyl-piperidin-4-yl-idene)amino phenyl carbonate.

Project description:In the title compounds, C27H28N2O3, (I), and C28H30N2O3, (II), the conformation about the C=N bond is E. The piperidine rings adopt chair conformations with the attached phenyl rings almost normal to their mean planes, the dihedral angles being 85.82?(8) and 85.84?(7)° in (I), and 87.98?(12) and 86.42?(13)° in (II). The phenyl rings are inclined to one another by 52.87?(8)° in (I) and by 60.51?(14)° in (II). The main difference in the conformation of the two compounds is the angle of inclination of the phen-oxy-carbonyl ring to the piperidine ring mean plane. In (I), these two planes are almost coplanar, with a dihedral angle of 2.05?(8)°, while in (II), this angle is 45.24?(13)°. In the crystal of (I), mol-ecules are linked by C-H?O hydrogen bonds, forming inversion dimers with R 2 (2)(14) loops. The dimers are linked via C-H?? inter-actions forming a three-dimensional network. In the crystal of (II), there are no significant inter-molecular inter-actions present.

| S-EPMC4257207 | biostudies-literature

1-(2-Chloro-acet-yl)-3-methyl-2,6-diphenyl-piperidin-4-one.

Project description:The asymmetric unit of the title compound, C(20)H(20)ClNO(2), contains two crystallographically independent mol-ecules of similar geometry. The piperidine ring adopts a distorted boat conformation in both mol-ecules, in which the N atom assumes an almost planar configuration.

| S-EPMC2971901 | biostudies-other

Crystal structure of 2-chloro-1-(3-methyl-2,6-di-phenyl-piperidin-1-yl)ethanone.

Project description:In the title compound, C20H22ClNO, the piperidine ring has a twist-boat conformation. There is an intra-molecular C-H⋯π inter-action involving the two phenyl rings which are inclined to one another by 84.91 (7)°. In the crystal, mol-ecules are linked via C-H⋯O hydrogen bonds, forming helical chains along [010]. The chains are linked by C-H⋯π inter-actions, forming sheets parallel to (100).

| S-EPMC4384538 | biostudies-literature

[(4E)-3-Ethyl-1-methyl-2,6-di-phenyl-piperidin-4-yl-idene]amino 3-methyl-benzoate.

Project description:In the title compound, C28H30N2O2, the piperidine ring exists in a chair conformation with an equatorial orientation of the phenyl rings and methyl group substituted on the heterocycle. In the crystal, C-H?? inter-actions result in chains of mol-ecules running parallel to the a-axis direction.

| S-EPMC3790411 | biostudies-literature

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