3-[(3-Benzoyl-4-hydroxy-1,1-dioxo-2H-1λ6,2-benzothiazin-2-yl)methyl]benzonitrile
نویسندگان
چکیده
There are two independent mol-ecules in the asymmetric unit of the title compound, C(23)H(17)N(2)O(4)S, with significant differences in their conformations, e.g. the benzene rings of the benzothia-zine and benzonitrile units are inclined at 28.19 (10) and 17.89 (7)° in the two mol-ecules, with the centroids of the rings separated by 3.975 (2) and 3.637 (2) Å, respectively. Moreover, the N-C-C-C torsion angles involving the benzoyl group are 14.3 (5) and 8.2 (5)° in the two mol-ecules, showing different degrees of rotation of this group. In both mol-ecules, the heterocyclic thia-zine rings adopt half-chair conformations, with the S and N atoms displaced by 0.427 (6) and 0.365 (6) Å, respectively, in one mol-ecule and by 0.356 (6) and 0.432 (6) Å, respectively, in the other, on opposite sides of the mean planes formed by the remaining ring atoms. The crystal structure is stabilized by inter-molecular C-H⋯O hydrogen bonds and further consolidated by intra-molecular O-H⋯O hydrogen bonds.
منابع مشابه
2-(3-Benzoyl-4-hydroxy-1,1-dioxo-2H-1λ6,2-benzothiazin-2-yl)-1-phenylethanone
In the title mol-ecule, C(23)H(17)NO(5)S, the heterocyclic thia-zine ring adopts a half-chair conformation, with the S and N atoms displaced by 0.383 (3) and 0.473 (3) Å, respectively, on opposite sides of the mean plane formed by the ring C atoms. The phenyl rings attached to carbonyl groups lie almost parallel to each other at a dihedral angle 7.43 (9)°, the distance between the centroids of ...
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In the title compound, C(14)H(15)NO(5)S, the thia-zine ring adopts a sofa conformation and an intra-molecular O-H⋯O hydrogen bond forms an S(6) ring. In the crystal, molecules are linked viaC-H⋯O inter-actions.
متن کامل[2-(2,5-Dichlorobenzyl)-4-hydroxy-1,1-dioxo-2H-1,2-benzothiazin-3-yl](phenyl)methanone
In the title mol-ecule, C(22)H(15)Cl(2)NO(4)S, the heterocyclic thia-zine ring adopts a half-chair conformation, with the S and N atoms displaced by 0.343 (5) and 0.402 (5) Å, respectively, on opposite sides of the mean plane formed by the remaining ring atoms. The mol-ecular structure is consolidated by an intra-molecular O-H⋯O hydrogen bond, which generates an S(?) ring. In the crystal, the m...
متن کامل(2-Bromophenyl)(4-hydroxy-1,1-dioxo-2H-1,2-benzothiazin-3-yl)methanone
In the title mol-ecule, C(15)H(10)BrNO(4)S, the heterocyclic thia-zine ring adopts a half-chair conformation, with the S and N atoms displaced by 0.554 (7) and 0.198 (8) Å, respectively, on opposite sides of the mean plane formed by the remaining ring atoms. The mol-ecular structure is consolidated by intra-molecular O-H⋯O inter-actions and the crystal packing features N-H⋯O and C-H⋯O hydrogen ...
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عنوان ژورنال:
دوره 68 شماره
صفحات -
تاریخ انتشار 2012