3-[4-(3,4-Dimethyl-5,5-dioxo-2H,4H-pyrazolo[4,3-c][1,2]benzothiazin-2-yl)phenyl]-2-hydroxy-1-mesitylprop-2-en-1-one hexane hemisolvate
نویسندگان
چکیده
In the title compound, C(29)H(27)N(3)O(4)S·0.5C(6)H(14), the heterocyclic thia-zine ring adopts a half-chair conformation with the S and N atoms displaced by 0.500 (5) and 0.229 (5) Å, respectively, on opposite sides from the mean plane formed by the remaining ring atoms. The mean planes of the pyrazole ring and the benzene ring bonded to it form a dihedral angle of 35.76 (11)° and an intra-molecular O-H⋯O hydrogen bond ocurs. The crystal structure features O-H⋯O and C-H⋯O hydrogen bonds. There is a half-mol-ecule of hexane in the asymmetric unit lying about an inversion center. It is disordered over two sets of sites with occupancy factors 0.590 (9) and 0.410 (9).
منابع مشابه
2-(3,4-Dimethyl-5,5-dioxo-2H,4H-pyrazolo[4,3-c][1,2]benzothiazin-2-yl)-N′-(3-methoxybenzylidene)acetohydrazide dimethylformamide hemisolvate
In the title compound, C(21)H(21)N(5)O(4)S·0.5C(3)H(7)NO, the heterocyclic thia-zine ring adopts a half-chair conformation, with the S and N atoms displaced by -0.451 (5) and 0.233 (5) Å, respectively, from the plane formed by the remaining ring atoms. The asymmetric unit contains a disordered half-mol-ecule of solvent lying close to inversion centers. The crystal structure is stabilized by wea...
متن کامل2-(3,4-Dimethyl-5,5-dioxo-2H,4H-pyrazolo[4,3-c][1,2]benzothiazin-2-yl)-1-(4-methoxyphenyl)ethanone
In the title mol-ecule, C(20)H(19)N(3)O(4)S, the heterocyclic thia-zine ring adopts a half-chair conformation with the S and N atoms displaced by 0.492 (6) and 0.199 (6) Å, respectively, on opposite sides from the mean plane formed by the remaining ring atoms. The ethanone group lies at an angle of 9.4 (2)° with respect to the benzene ring, which lies almost perpendicular to the pyrazole ring, ...
متن کاملIsopropyl (3,4-dimethyl-5,5-dioxo-4H-pyrazolo[4,3-c][1,2]benzothiazin-2-yl)acetate
In the title mol-ecule, C(16)H(19)N(3)O(4)S, the heterocyclic thia-zine ring adopts a half-chair conformation, with the S and N atoms displaced by 0.547 (2) and -0.254 (3) Å, respectively, from the plane formed by the remaining atoms. In the crystal, weak C-H⋯N and C-H⋯O hydrogen bonds link the mol-ecules.
متن کاملN′-(2-Chlorobenzylidene)-2-(3,4-dimethyl-5,5-dioxo-2H,4H-pyrazolo[4,3-c][1,2]benzothiazin-2-yl)acetohydrazide
The asymmetric unit of the title compound, C(20)H(18)ClN(5)O(3)S, contains two independent mol-ecules with significantly different conformations of the heterocyclic thia-zine rings. In both mol-ecules, the thia-zine rings adopt half-chair conformations, with the S atoms displaced by 0.382 (3) and 0.533 (3) Å and N atoms -0.351 and -0.275 Å, respectively, from the planes formed by the remaining ...
متن کامل2-(3,4-Dimethyl-5,5-dioxo-2H,4H-pyrazolo[4,3-c][1,2]benzothiazin-2-yl)-N-(2-fluorobenzyl)acetamide
In the title mol-ecule, C(20)H(19)FN(4)O(3)S, the heterocyclic thia-zine ring adopts a half-chair conformation with the S atom displaced by 0.668 (4) Å from the mean plane formed by the remaining ring atoms. The mean planes of the benzene and pyrazole rings are inclined with respect to each other at a dihedral angle of 17.4 (3)°. The acetamide chain (O/N/C/C/C) linking the pyrazole and 2-fluoro...
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عنوان ژورنال:
دوره 68 شماره
صفحات -
تاریخ انتشار 2012