Crystal structure of ethyl 4-(2,4-dichlorophenyl)-2-methyl-4H-benzo[4,5]thiazolo[3,2-a]pyrimidine-3-carboxylate
نویسندگان
چکیده
In the title compound, C20H16Cl2N2O2S, the pyrimidine ring has a screw-boat conformation. The attached di-chloro-phenyl ring is twisted at an angle of 89.29 (13)° with respect to the pyrimidine ring mean plane. The benzo-thia-zole group is approximately planar (r.m.s. deviation = 0.008 Å) and inclined to the pyrimidine ring mean plane by 3.04 (10)°. The carboxyl-ate group assumes an extended conformation with respect to the pyrimidine ring, which can be seen from the O=C-O-C torsion angle of 3.2 (4) °. In the crystal, mol-ecules are linked via C-H⋯O and C-H⋯N hydrogen bonds, forming slabs lying parallel to (100).
منابع مشابه
Crystal structure of (2-methyl-4-phenyl-4H-benzo[4,5]thiazolo[3,2-a]pyrimidin-3-yl)(phenyl)methanone
In the title compound, C24H18N2OS, the pyrimidine ring has a flat envelope conformation with the methine C atom as the flap. The attached phenyl and benzoyl rings are inclined to the mean plane of the pyrimidine ring by 84.87 (8) and 75.33 (9)°, respectively. The benzo-thia-zolo group is planar (r.m.s. deviation = 0.009 Å) and inclined to the mean plane of the pyrimidine ring by 3.27 (6)°. In t...
متن کامل(2Z)-Ethyl 5-(4-methoxyphenyl)-7-methyl-3-oxo-2-(3,4,5-trimethoxybenzylidene)-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxylate
In the title compound, C(27)H(28)N(2)O(7)S, the dihedral angles between the thia-zole ring and the mono- and tris-ubstituted benzene rings are 87.8 (2) and 17.9 (3)°, respectively. The dihydro-pyrimidine ring adopts a flattened boat conformation. In the crystal structure, π-π stacking occurs [centroid-centroid separation = 3.6611 (11) Å].
متن کاملEthyl 2-[(Z)-3-chlorobenzylidene]-7-methyl-3-oxo-5-phenyl-2,3-dihydro-5H-1,3-thiazolo[3,2-a]pyrimidine-6-carboxylate
In the title compound, C(23)H(19)ClN(2)O(3)S, the central pyrimidine ring is significantly puckered, assuming almost a screw boat conformation. In addition to the usual inter-molecular C-H⋯O hydrogen bonding, short intra-molecular C-H⋯S contacts and π-π stacking inter-actions [centroid-centroid distance = 3.762 (2) Å] contribute to the crystal packing.
متن کاملEthyl 7-methyl-3-oxo-5-phenyl-2-(2,4,6-trimethoxybenzylidene)-2,3-dihydro-5H-thiazolo[3,2-a]pyrimidine-6-carboxylate
In the title compound, C(26)H(26)N(2)O(6)S, the benzene ring is positioned axially to the thia-zolopyrimidine ring and bis-ects it with a dihedral angle of 80.94 (7)°. The pyrimidine ring adopts a flattened boat conformation. In the crystal, pairs of bifurcated C-H⋯O hydrogen bonds link the mol-ecules into chains along the c axis.
متن کامل(Z)-Ethyl 2-(2,4-dimethylbenzylidene)-7-methyl-3-oxo-5-phenyl-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxylate
In the title compound, C(25)H(24)N(2)O(3)S, the dihedral angles between the thia-zole ring and the phenyl and substituted benzene rings are 84.91 (11) and 11.58 (10)°, respectively. The dihydro-pyrimidine ring adopts a flattened boat conformation. The olefinic double bond is in a Z configuration.
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عنوان ژورنال:
دوره 71 شماره
صفحات -
تاریخ انتشار 2015