Crystal structure of 2-(4-chlorophenyl)-2-oxoethyl 3-bromobenzoate
نویسندگان
چکیده
2-(4-Chloro-phen-yl)-2-oxoethyl 3-bromo-benzoate, C15H10BrClO3, was synthesized in a single-step reaction by condensation of 3-bromo-benzoic acid with 2-bromo-1-(4-chloro-phen-yl)ethanone in di-methyl-formamide in the presence of tri-ethyl-amine as a catalyst. The structure consists of an aryl ketone moiety linked to an aryl ester unit by a methyl-ene group. Both units are reasonably planar (r.m.s. deviations of 0.119 and 0.010 Å for the aryl ketone and aryl ester units, respectively) and are almost orthogonal, with an angle of 88.60 (3)° between them. In the crystal, mol-ecules form five separate sets of inversion dimers. Three of these are generated by two C-H⋯O inter-actions and a C-H⋯Br contact, and form chains along c and along the ab cell diagonal. In addition, two inversion-related π-π stacking inter-actions between like aryl rings again form chains of mol-ecules but in this instance along the bc diagonal. These contacts generate infinite layers of mol-ecules parallel to (011) and stack the mol-ecules along the a-axis direction.
منابع مشابه
2-(4-Methylphenyl)-2-oxoethyl 3-bromobenzoate
The mol-ecule of the title compound, C16H13BrO3, is built of two approximately planar fragments, viz. 3-bromo-benzoate [maximum deviation = 0.055 (2) Å and 2-oxo-2-p-tolyl-ethyl [maximum deviation = 0.042 (2) Å], inclined by 46.51 (7)°. In the crystal, weak C-H⋯O hydrogen bonds and Br⋯Br contacts [3.6491 (7) Å] connect the mol-ecules into infinite layers parallel to (-221).
متن کامل2-(4-Bromophenyl)-2-oxoethyl 4-bromobenzoate
The asymmetric unit of the title compound, C(15)H(10)Br(2)O(3), consists of three crystallographically independent mol-ecules (A, B and C). The phenyl rings in mol-ecules A, B and C make dihedral angles of 6.1 (3), 3.2 (2) and 54.6 (2)° to each other, respectively. In the crystal, mol-ecules are linked into two-dimensional layers parallel to the ab plane by inter-molecular C-H⋯O hydrogen bonds....
متن کامل2-(4-Chlorophenyl)-2-oxoethyl 4-methylbenzoate
In the title compound, C(16)H(13)ClO(3), the dihedral angle between the benzene rings is 80.74 (8)°. In the crystal, C-H⋯O hydrogen bonds link the mol-ecules to form C(11) chains propagating in [010].
متن کامل2-(4-Chlorophenyl)-2-oxoethyl benzoate
In the title compound, C(15)H(11)ClO(3), the dihedral angle between the aromatic rings is 84.29 (8)°. In the crystal, mol-ecules are linked by weak C-H⋯π inter-actions.
متن کامل2-(4-Chlorophenyl)-2-oxoethyl 3-(trifluoromethyl)benzoate
In the title compound, C(16)H(10)ClF(3)O(3), the two benzene rings are slightly twisted from each other, with a dihedral angle of 15.50 (8)° between the planes. In the crystal, inter-molecular C-H⋯O hydrogen bonds link the mol-ecules into a layer parallel to the bc plane.
متن کاملذخیره در منابع من
با ذخیره ی این منبع در منابع من، دسترسی به آن را برای استفاده های بعدی آسان تر کنید
عنوان ژورنال:
دوره 70 شماره
صفحات -
تاریخ انتشار 2014