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(S)-1-(2-Chloro-phen-yl)-2-oxocyclo-hexan-1-aminium d-tartrate.

ABSTRACT: In the title compound, C(12)H(15)ClNO(+)·C(4)H(5)O(6) (-), the cyclo-hexa-none ring adopts a chair conformation. The benzene ring is significantly twisted so that it is in an almost perpendicular position to the C-N bond with a C(Ar)-C(Ar)-C-N torsion angle of -96.5 (5)°. Intermolecular N-H⋯O and O-H⋯O hydrogen bonds are observed in the crystal structure.

SUBMITTER: Hojahmat M

PROVIDER: S-EPMC3051988 | biostudies-literature |

REPOSITORIES: biostudies-literature

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N-(4-Chloro-phen-yl)-4-(2-oxocyclo-pent-yl)butyramide.

Project description:In the title compound, C(15)H(18)ClNO(2), the amide group is coplanar with the chloro-phenyl group, making a dihedral angle of 1.71?(12)°. The cyclo-penta-none ring adopts a twist conformation. A weak intra-molecular C-H?O hydrogen bond is observed. Mol-ecules are linked into cyclic centrosymmetric dimers by paired N-H?O hydrogen bonds.

| S-EPMC2968074 | biostudies-literature

5-(4-Chloro-phen-yl)-1-methyl-3-oxocyclo-hexa-necarbonitrile.

Project description:In the title mol-ecule, C(14)H(14)ClNO, the cyclo-hexane ring adopts a chair conformation. The cyano group and the methyl group have axial and equatorial orientations, respectively. The benzene ring has an equatorial orientation. A C-H?? inter-action involving the benzene ring is found in the crystal structure.

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Ethyl 6-(4-chloro-phen-yl)-4-(4-methoxy-phen-yl)-2-oxocyclo-hex-3-ene-1-carboxyl-ate.

Project description:In the title compound, C(22)H(21)ClO(4), the cyclo-hex-3-ene unit adopts an envelope conformation in both independent mol-ecules comprising the asymmetric unit. The two benzene rings are inclined to each other at a dihedral angle of 82.03?(5)° [86.37?(5)°]. In the crystal, the molecules interact via C-H?O, C-H?Cl and C-H?? interactions.

| S-EPMC2969664 | biostudies-literature

N-[2-(2-Chloro-phen-yl)-2-hydroxy-ethyl]propan-2-aminium chloride.

Project description:In the title compound, C(11)H(17)ClNO(+)·Cl(-), the side chain of the ethyl-amine group is orientated approximately perpendicular to the benzene ring, the dihedral angle between the C/C/N plane of the ethyl-amine group and the benzene plane being 83.5?(3)°. In the crystal structure, inter-molecular O-H?Cl and N-H?Cl hydrogen bonds are observed. The crystal studied was an inversion twin with a 0.51?(10):0.49?(10) domain ratio.

| S-EPMC2970127 | biostudies-literature

N-[2-(2-Chloro-phen-yl)-2-hydroxy-ethyl]propan-2-aminium hemioxalate.

Project description:The asymmetric unit of the title compound, C(11)H(17)ClNO(+)·0.5C(2)O(4) (2-), consists of one N-[2-(2-chloro-phen-yl)-2-hydroxy-ethyl]propan-2-ammonium cation and one-half of a centrosymmetric oxalate anion. In the cation, the C/C/N plane of the ethyl-ammonium group is almost perpendicular to the benzene ring, with a dihedral angle of 88.72?(17)°. In the crystal structure, the two components are connected by O-H?O and N-H?O hydrogen bonds, forming a supra-molecular tape along the a axis. Between the tapes, a C-H?O inter-action is observed.

| S-EPMC2969379 | biostudies-literature

N-[2-(2-Chloro-phen-yl)-2-hy-droxy-eth-yl]propan-2-aminium 4-methyl-benzoate.

Project description:The title compound, C(11)H(17)ClNO(+)·C(8)H(7)O(2) (-), was obtained by the reaction of chlorprenaline {or 1-(2-chloro-phen-yl)-2-[(1-methyl-eth-yl)amino]-ethanol} and p-toluic acid. The chlorpren-aline is twisted moderately with a C-C-C-C torsion angle of 109.6?(2)°. The two mol-ecules are linked by classical O-H?O and N-H?O hydrogen bonds. Further N-H?O hydrogen bonds link two of these units into dimers.

| S-EPMC2983265 | biostudies-literature

(1RS,6SR)-Ethyl 4-(4-chloro-phen-yl)-6-(4-fluoro-phen-yl)-2-oxocyclo-hex-3-ene-1-carboxyl-ate toluene hemisolvate.

Project description:In the crystal structure of the title compound, C(21)H(18)ClFO(3)·0.5C(7)H(8), the toluene solvent mol-ecules occupy special positions on centres of symmetry, and consequently are disordered across this site. The cyclo-hexene ring has a slightly distorted sofa conformation; the two benzene rings are inclined by 72.90 (7)° and their planes make dihedral angles of 30.09 (10) (chloro-phen-yl) and 88.13 (6)° (fluoro-phen-yl) with the approximately planar part of the cyclo-hexenone ring [maximum deviation from plane through five atoms is 0.030 (2) Å, the sixth atom is 0.672 (3)Å out of this plane]. Weak inter-molecular C-H⋯O and C-H⋯X (X = F, Cl) inter-actions join mol-ecules into a three-dimensional structure. Also, a relatively short and directional C-Cl⋯F-C contact is observed [Cl⋯F = 3.119 (2) Å, C-Cl⋯F = 157.5 (2)° and C-F⋯Cl 108.3 (2)°]. The solvent mol-ecules fill the voids in the crystal structure and are kept there by relatively short and directional C-H⋯π inter-actions.

| S-EPMC3051615 | biostudies-literature

1-(3,4-Dihy-droxy-phen-yl)hexan-1-one.

Project description:In the title compound, C(12)H(16)O(3), a fully extened hexyl carbon chain is attached to a benzene ring; the mean planes formed by the atoms in the benzene ring and the hexa-none are inclined at an angle 8.5 (2)° with respect to each other. In the crystal, inter-molecular O-H⋯O hydrogen bonds join the mol-ecules into an infinite sheet.

| S-EPMC3006993 | biostudies-literature

N-(2-Amino-3,5-dibromo-benz-yl)-N-methyl-cyclo-hexan-1-aminium p-toluenesulfonate.

Project description:The title compound, C(14)H(21)Br(2)N(2) (+)·C(7)H(7)O(3)S(-), features a salt of protonated bromhexine, a pharmaceutical used in the treatment of respiratory disorders, and the p-toluenesulfonate anion. The crystal packing is stabilized by inter-molecular N-H?O, N-H?Br and C-H?O hydrogen bonds.

| S-EPMC3213481 | biostudies-literature

2-Amino-cyclo-hexan-1-aminium thio-cyanate.

Project description:The title compound, C(6)H(15)N(2) (+)·NCS(-), was obtained unexpectedly from the reaction mixture of benzoyl chloride, ammonium thio-cyanate and cyclo-hexane-1,2-diamine. The cyclo-hexane ring adopts a chair conformation. In the crystal, N-H?S and N-H?N inter-actions involving the thio-cyanate anion and both the amine and the aminium N atoms link the mol-ecules, forming two-dimensional networks parallel to (001).

| S-EPMC3379321 | biostudies-literature

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