Ethyl 5-oxo-4-phenyl-5,6-dihydro-4H-1,3,4-oxadiazine-2-carboxylate
نویسندگان
چکیده
The asymmetric unit of title compound, C12H12N2O4, consists of two independent mol-ecules. In each mol-ecule, the oxadiazine ring has a flattened envelope conformation with the methyl-ene C atom as the flap atom, and the eth-oxy-carbonyl unit is in a syn-periplanar conformation with respect to the oxadiazine ring as indicated by O-C-C=O torsion angles of 1.9 (4) and 2.5 (4)°. The dihedral angles between the mean plane of the oxadiazine ring and the phenyl ring are 80.07 (13) and 42.98 (14)°. In the crystal, mol-ecules are linked by C-H⋯O hydrogen bonds and stacked in a double-column along the a-axis direction.
منابع مشابه
Hydrogen-bonded chains in 3,5-bis(4-fluorophenyl)-1-phenyl-1H-pyrazole and complex hydrogen-bonded sheets in (5RS,6SR)-6-(4-fluorobenzoyl)-5-(4-fluorophenyl)-2-(4-hydroxyphenyl)-5,6-dihydro-4H-1,3,4-oxadiazine N,N-dimethylformamide monosolvate.
Two different heterocycles, a pyrazole and an oxadiazine, are formed by the reactions of a common precursor, (2RS,3SR)-2,3-dibromo-1,3-bis(4-fluorophenyl)propan-1-one, with different simple hydrazines. In 3,5-bis(4-fluorophenyl)-1-phenyl-1H-pyrazole, C(21)H(14)F(2)N(2), (I), formed using phenylhydrazine, there is some aromatic-type delocalization in the pyrazole ring, and the molecules are link...
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In the title compound, C(17)H(18)N(2)O(2)S(2), the angle between the mean plane defined by the atoms of the 5,6-dihydro-4H-cyclo-penta-[b]thio-phene moiety (r.m.s. deviation = 0.19 Å) and the phenyl ring is 72.8°(2). The mol-ecular conformation is stabilized by an intra-molecular N-H⋯O inter-action, which generates an S(6) ring motif. In the crystal, pairs of N-H⋯S hydrogen bonds link the mol-e...
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متن کاملEthyl 4-(4-chloroanilino)-1-(4-chlorophenyl)-2-methyl-5-oxo-2,5-dihydro-1H-pyrrole-2-carboxylate
In the title compound, C20H18Cl2N2O3, the dihedral angles between the central 2,5-di-hydro-1H-pyrrole ring and the phenyl rings are 74.87 (9) and 29.09 (9)°. Intra-molecular N-H⋯O and C-H⋯O hydrogen bonds occur. In the crystal, pairs of N-H⋯O hydrogen bonds link adjacent mol-ecules into inversion dimers and form an R 1 (2)(6)R 2 (2)(10)R 1 (2)(6) ring motif through C-H⋯O hydrogen bonds.
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عنوان ژورنال:
دوره 70 شماره
صفحات -
تاریخ انتشار 2014