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4-Chloro-phenyl 4-methyl-benzoate.

ABSTRACT: 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.

SUBMITTER: Gowda BT

PROVIDER: S-EPMC2962144 | biostudies-literature | 2008 Jul

REPOSITORIES: biostudies-literature

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4-Chloro-phenyl 4-methyl-benzoate.

Gowda B Thimme BT Foro Sabine S Babitha K S KS Fuess Hartmut H

Acta crystallographica. Section E, Structure reports online 20080716 Pt 8

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 ...[more]

PMID: 21203226

Similar Datasets

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

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.

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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)°.

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4-Chloro-phenyl 4-chloro-benzoate.

Project description:The structure of the title compound (4CP4CBA), C(13)H(8)Cl(2)O(2), resembles those of 4-methyl-phenyl 4-chloro-benzoate (4MP4CBA), 4-chloro-phenyl 4-methyl-benzoate (4CP4MBA) and 4-methyl-phenyl 4-methyl-benzoate (4MP4MBA), with similar bond parameters. The dihedral angle between the two benzene rings in 4CP4CBA is 47.98 (7)°, compared with 51.86 (4)° in 4MP4CBA, 63.89 (8)° in 4CP4MBA and 63.57 (5)° in 4MP4MBA. In the crystal structure, mol-ecules are linked into helical chains running along the b axis by C-H-O hydrogen bonds.

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3-Chloro-phenyl benzoate.

Project description:The C=O group in the title compound, C(13)H(9)ClO(2), is syn to the chloro group. The two aromatic rings are twisted by 56.88 (6)°. Adjacent mol-ecules are linked via weak C-H⋯O hydrogen bonding into a linear chain.

| S-EPMC2962204 | biostudies-literature

4-(4-Chloro-benzo-yl)-3-methyl-1-phenyl-1H-pyrazol-5-yl 4-chloro-benzoate.

Project description:In the title compound, C(24)H(16)Cl(2)N(2)O(3), the three benzene rings are twisted with respect to the central pyrazole ring, making dihedral angles of 71.56 (9) (4-chloro-benzo-yloxy), 57.55 (8) (4-chloro-benzo-yl) and 39.33 (1)° (phen-yl).

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Phenyl 4-methyl-benzoate.

Project description:The structure of the title compound, C(14)H(12)O(2), resembles those of phenyl benzoate and 4-methyl-phenyl benzoate, with similar bond parameters. The two aromatic rings make a dihedral angle of 76.0?(1)°. The plane of the central -C(=O)-O- group is twisted by 9.4?(2)° out of the plane of the benzoyl ring, and by 83.3?(1)° out of the plane of the phenyl ring. The crystal structure exhibits weak parallel stacking of the benzoyl rings, with an inter-planar distance of 3.65?Å and an offset of 1.84?Å. The methyl group shows orientational disorder.

| S-EPMC2971075 | biostudies-literature

2-Methyl-phenyl 4-methyl-benzoate.

Project description:The conformation of the C=O bond in the title compound 2MP4MBA, C(15)H(14)O(2), is anti to the ortho-methyl group in the phen-oxy ring. The bond parameters in 2MP4MBA are similar to those in 3-methyl-phenyl 4-methyl-benzoate (3MP4MBA), 4-methyl-phenyl 4-methyl-benzoate (4MP4MBA) and other aryl benzoates. The dihedral angle between the two aromatic rings in 2MP4MBA is 73.04 (8)°.

| S-EPMC2962198 | biostudies-literature

2-Benzoyl-4-chloro-phenyl benzoate.

Project description:In the title compound, C20H13ClO3, the dihedral angles between the benzoate and the chloro-benzene and benzoyl rings are 68.82 (5) and 53.76 (6)°, respectively, while the dihedral angle between the benzoyl and benzoate rings is 81.17 (5)°. The eight atoms of the benzoyl residue are essentially planar with the exception of the O atom which lies 0.1860 (5) Å out of their mean plane (r.m.s. deviation = 0.97 Å). The nine atoms of benzoate residue are also essentially planar (r.m.s. deviation = 0.20 Å) with the ester O atom showing the greatest deviation [0.407 (12) Å] from their mean plane. In the crystal, mol-ecules are connected into centrosymmetric dimers by pairs of C-H⋯O hydrogen bonds.

| S-EPMC3685129 | biostudies-literature

2,4,6-Trinitro-phenyl 4-chloro-benzoate.

Project description:In the title benzoate derivative, C13H6ClN3O8, the planes of the benzene rings form a dihedral angle of 63.46 (5)°. The dihedral angles between the benzene ring and its nitro groups are 12.78 (16)° for the first ortho, 28.4 (4) and 17.4 (4)° for the second (disordered) ortho and 3.58 (16)° for the para nitro group. The central ester moiety, -C-(C=O)-O-, is essentially planar (r.m.s. deviation for all non-H atoms = 0.0229 Å) and forms dihedral angles of 7.37 (14)° with the chloro-substituted benzene ring and 69.85 (6)° with the trinitro-substituted benzene ring. One of the nitro groups was refined as disordered over two sets of sites with fixed site occupancies of 0.61 and 0.39. In the crystal, mol-ecules are linked by weak C-H⋯O hydrogen bonds, forming a three-dimensional network.

| S-EPMC3629618 | biostudies-literature

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