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Methyl 2-(3-chloro-benzamido)-benzoate.

ABSTRACT: In the mol-ecule of the title compound, C15H12ClNO3, the chloro-benzamide and benzoate units are almost co-planar, with a dihedral angle between the six-membered rings of 2.99 (10)°. An intra-molecular N-H⋯O hydrogen bond occurs. In the crystal, each mol-ecule is linked to a symmetry-equivalent counterpart across a twofold rotation axis by weak C-H⋯O and C-H⋯Cl hydrogen bonds, forming dimers. The packing is stabilized through weak π-π stacking along the b-axis direction, leading to π-stacked columns of inversion-related mol-ecules, with an inter-planar distance of 3.46 (2) Å and a centroid-centroid vector of 3.897 (2) Å.

SUBMITTER: Ouahrouch A

PROVIDER: S-EPMC3588991 | biostudies-literature |

REPOSITORIES: biostudies-literature

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Methyl 2-(4-chloro-benzamido)-benzoate.

Project description:In the title compound, C(15)H(12)ClNO(3), the central C-C(O)-N-C amide unit makes dihedral angles of 6.60?(2) and 3.42?(2)°, respectively, with the 4-chloro-benzene and anilino rings. The dihedral angle between the two benzene rings is 3.32?(3)°. Intra-molecular N-H?O and C-H?O hydrogen bonds form S(6) rings and contribute to the planarity of this portion of the mol-ecule. In the crystal, inter-molecular C-H?O hydrogen bonds are observed, which link the mol-ecules into [010] C(7) chains.

| S-EPMC3011652 | biostudies-literature

Methyl 2,4-dihy-droxy-5-(4-nitro-benzamido)-benzoate.

Project description:In the title compound, C(15)H(12)N(2)O(7), the dihedral angle between the aromatic rings is 4.58 (13)° and the nitro group is rotated from its attached ring by 18.07 (17)°. Intra-molecular N-H⋯O and O-H⋯O hydrogen bonds generate S(5) and S(6) rings, respectively. In the crystal, mol-ecules are linked by O-H⋯O hydrogen bonds, generating [001] C(7) chains. The chains are linked by C-H⋯O inter-actions, forming a three-dimensional network, which incorporates R(2) (2)(7) and R(2) (2)(10) loops.

| S-EPMC3569267 | biostudies-literature

Benzoyl-methyl 4-chloro-benzoate.

Project description:The asymmetric unit of the title compound, C(15)H(11)ClO(3), contains three mol-ecules, A, B, and C. Mol-ecules A and B are aligned edge-to-face, whereas mol-ecules B and C are aligned almost parallel to each other. The crystal structure displays C-H⋯π and π-π [centroid-centroid distances of 3.960 (4), 3.971 (4) and 3.971 (4) for mol-ecules A, B and C, respectively] parallel-displaced inter-actions, and C-H⋯O hydrogen bonds.

| S-EPMC2960412 | biostudies-literature

Methyl 4-chloro-3,5-dinitro-benzoate.

Project description:In the mol-ecule of the title compound, C(8)H(5)ClN(2)O(6), the two nitro groups and the ester group make dihedral angles of 29.6?(1)°, 82.3?(1)° and 13.7?(1)°, respectively, with the benzene ring. In the crystal structure weak C-H?O inter-actions are present.

| S-EPMC2980218 | biostudies-literature

Methyl 2-amino-5-chloro-benzoate.

Project description:The title compound, C(8)H(8)ClNO(2), is almost planar, with an r.m.s. deviation of 0.0410?Å from the plane through the non-hydrogen atoms. In the crystal structure, inter-molecular N-H?O hydrogen bonds link the mol-ecules into chains along the b axis. An intra-molecular N-H?O hydrogen bond results in the formation of a six-membered ring.

| S-EPMC3009038 | biostudies-literature

4-Methyl-phenyl 4-chloro-benzoate.

Project description:The crystal structure of the title compound, C(14)H(11)ClO(2), is similar to those of phenyl benzoate, 4-methyl-phenyl benzoate and 4-methyl-phenyl 4-methyl-benzoate. The dihedral angle between the phenyl and benzene rings is 51.86?(4)°. The mol-ecules crystallize in planes parallel to (02).

| S-EPMC2915044 | biostudies-literature

Methyl 4-chloro-3-nitro-benzoate.

Project description:In the title compound, C(8)H(6)ClNO(4), the mol-ecules are linked by C-H⋯O inter-actions to form a chain parallel to the a axis. The chains are further connected by slipped π-π stacking between symmetry-related benzene rings, with a centroid-to-centroid distance of 3.646 (2) Å and an inter-planar distance of 3.474 Å, resulting in an offset of 1.106 Å.

| S-EPMC2960159 | biostudies-literature

3-Chloro-phenyl 4-methyl-benzoate.

Project description:The crystal structure of the title compound 3CP4MBA, C(14)H(11)ClO(2), resembles those of 3-methyl-phenyl 4-methyl-benzoate (3MP4MBA), 4-methyl-phenyl 4-methyl-benzoate (4MP4MBA), 4-methyl-phenyl 4-chloro-benzoate (4CP4MBA) and other aryl benzoates with similar bond parameters. The dihedral angle between the benzene rings in 3CP4MBA is 71.75 (7)°, compared with 56.82 (7)° in 3MP4MBA and 63.57 (5)° in 4MP4MBA. In the crystal structure, the mol-ecules are aligned with their long axis approximately along the [101] direction and stacked along the c axis.

| S-EPMC2962023 | biostudies-literature

4-Chloro-phenyl 4-methyl-benzoate.

Project description:The crystal structure of the title compound (4CP4MBA), C(14)H(11)ClO(2), resembles those of 3-chloro-phenyl 4-methyl-benzoate (3CP4MBA), 4-methyl-phenyl 4-methyl-benzoate (4MP4MBA), 4-methyl-phenyl 4-chloro-benzoate (4MP4CBA) and other aryl benzoates with similar bond parameters. The dihedral angle between the benzene rings in 4CP4MBA is 63.89 (8)°, compared with 71.75 (7)° in 3CP4MBA, 63.57 (5)° in 4MP4MBA and 51.86 (4)° in 4MP4CBA. In the crystal structure of the title compound, the mol-ecules are linked into an infinite chain along the a axis via C-H-O hydrogen bonds.

| S-EPMC2962144 | biostudies-literature

2-Chloro-phenyl 4-methyl-benzoate.

Project description:The conformation of the C=O bond in the title compound, C(14)H(11)ClO(2), is anti to the Cl atom, similar to what was observed in 2-methyl-phenyl 4-methyl-benzoate. The dihedral angle between the two aromatic rings is 59.36 (7)°.

| S-EPMC2962170 | biostudies-literature

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