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

ABSTRACT: 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.

SUBMITTER: Vinuchakkaravarthy T

PROVIDER: S-EPMC3790411 | biostudies-literature | 2013

REPOSITORIES: biostudies-literature

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

Vinuchakkaravarthy T T Sivakumar R R Srinivasan T T Thanikachalam V V Velmurugan D D

Acta crystallographica. Section E, Structure reports online 20130918 Pt 10

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⋯π inter-actions result in chains of mol-ecules running parallel to the a-axis direction. ...[more]

PMID: 24098230

Similar Datasets

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

[(4E)-1-Methyl-2,6-diphenyl-3-(propan-2-yl)piperidin-4-yl-idene]amino 3-methyl-benzoate.

Project description:In the title compound, C29H32N2O2, the piperidine ring exists in a chair conformation (the bond-angle sum at the sp (2)-hybridized C atom is 359.79°). The phenyl rings and the methyl group substituted on the heterocyclic ring are in equatorial orientations. In the crystal, pairs of C-H?? inter-actions result in the formation of inversion dimers.

| S-EPMC3793771 | biostudies-literature

Methyl ({[(4E)-1,3-dimethyl-2,6-di-phenyl-piperidin-4-yl-idene]amino}-oxy)acetate.

Project description:In the title compound, C22H26N2O3, the piperidine ring exhibits a chair conformation. The phenyl rings attached to the piperidine at the 2- and 6-positions have axial orientations. These rings make a dihedral angle of 49.75?(11)°. The amino-oxy acetate group attached at the 4-position has an equatorial orientation. In the crystal, inversion dimers linked by pairs of C-H?? inter-actions occur.

| S-EPMC4011218 | biostudies-other

(E)-3-Methyl-2,6-di-phenyl-piperidin-4-one O-(3-methyl-benzo-yl)oxime.

Project description:In the title compound, C26H26N2O2, the piperidine ring exhibits a chair conformation. The phenyl rings are attached to the central heterocycle in an equatorial position. The dihedral angle between the planes of the phenyl rings is 57.58?(8)°. In the crystal, C-H?O inter-actions connect the mol-ecules into zigzag chains along [001].

| S-EPMC4158521 | biostudies-literature

2,6-Dichloro-phenyl 4-methyl-benzoate.

Project description:The structure of the title compound (26DCP4MeBA), C(14)H(10)Cl(2)O(2), resembles those of phenyl benzoate (PBA), 2,6-dichloro-phenyl benzoate (26DCPBA), 2,4-dichloro-phenyl 4-methyl-benzoate (24DCP4MeBA) and other aryl benzoates, with similar bond parameters. The dihedral angle between the benzene and benzoyl rings in 26DCP4MeBA is 77.97?(9)°, compared with values of 55.7 (PBA), 75.75?(10) (26DCPBA) and 48.13?(5)° (24DCP4MeBA). The mol-ecules in the title compound are packed into zigzag chains in the bc plane.

| S-EPMC2961242 | biostudies-literature

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

Ethyl 4-[(3,5-di-tert-butyl-2-hy-droxy-benzyl-idene)-amino]-benzoate.

Project description:The title compound, a Schiff base, C(24)H(31)NO(3), has a substituted aromatic ring at both ends of the azomethine linkage and these make a dihedral angle of 24.9?(1)°. There is an intra-molecular hydrogen bond between the hy-droxy group (donor) and the N atom of themazomethine linkage.

| S-EPMC3009105 | biostudies-literature

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

Ethyl 4-amino-3-methyl-benzoate.

Project description:The asymmetric unit of the title compound, C(10)H(13)NO(2), contains two mol-ecules which are linked via an N-H?N hydrogen bonds to form a dimer. These dimers are further linked via N-H?O inter-molecular hydrogen bonds.

| S-EPMC2961301 | biostudies-literature

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

Project description: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.

| S-EPMC3648321 | biostudies-other

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