Methyl 2-(2,3,5-trimethyl-1,1-dioxo-2H-1λ6,2,6-thiadiazin-4-yl)benzoate
نویسندگان
چکیده
There are two mol-ecules, A and B, in the asymmetric unit of the title compound, C14H16N2O4S, which is the first example reported in this family of compounds in which the Nsp(3) atom of the thia-diazine ring is methyl-ated. The thia-diazine rings adopt shallow envelope conformations, with the S atoms displaced by 0.319 (12) and 0.182 (12) Å from the mean planes of the other ring atoms in mol-ecules A and B, respectively. The dihedral angles between the thia-diazine mean planes (excluding S) and the attached benzene rings are 86.8 (3) and 86.7 (3)° for mol-ecules A and B, respectively.
منابع مشابه
Ethyl 2-(3,5-dimethyl-1,1-dioxo-2H-1λ6,2,6-thiadiazin-4-yl)benzoate
In the title compound, C(14)H(16)N(2)O(4)S, the thia-diazine ring is in a half-boat conformation. The aromatic ring deviates from the plane of this moiety at an angle of 74.6 (2)°. The structure displays inter-molecular N-H⋯O hydrogen bonding [N⋯O = 2.8157 (16) Å], creating ribbons along the [010] axis. There are also weak C-H⋯O inter-actions in the crystal but no π-π stacking.
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In the title mol-ecule, C(12)H(12)N(2)O(4)S, the S atom of the thia-diazine ring deviates by 0.5104 (4) Å from the mean plane of the other five atoms [largest deviation = 0.0623 (15) Å] giving a slightly distorted sofa conformation. The carb-oxy H atom was refined as disordered over two sets of sites with refined occupancies of 0.58 (2) and 0.48 (2). This corresponds to rotational disorder of t...
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عنوان ژورنال:
دوره 68 شماره
صفحات -
تاریخ انتشار 2012