2-(3,4-Dimethyl-5,5-dioxo-2H, 4H-pyrazolo[4,3-c][1,2] benzothiazin-2-yl)acetic acid

被引:1
作者
Aslam, Sana [1 ]
Siddiqui, Hamid Latif [1 ]
Ahmad, Matloob [2 ]
Zia-ur-Rehman, Muhammad [3 ]
Parvez, Masood [4 ]
机构
[1] Univ Punjab, Inst Chem, Lahore 54590, Pakistan
[2] Govt Coll Univ, Dept Chem, Faisalabad 38000, Pakistan
[3] Appl Chem Res Ctr, PCSIR Labs Complex, Lahore 54600, Pakistan
[4] Univ Calgary, Dept Chem, Calgary, AB T2N 1N4, Canada
来源
ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS | 2012年 / 68卷
关键词
D O I
10.1107/S1600536812023677
中图分类号
O7 [晶体学];
学科分类号
0702 ; 070205 ; 0703 ; 080501 ;
摘要
In the title molecule, C13H13N3O4S, the heterocyclic thiazine ring adopts a half-chair conformation in which the S and an adjacent C atom are displaced by 0.919 (3) and 0.300 (4) angstrom, respectively, on the same side of the mean plane formed by the remaining ring atoms. The mean planes of the benzene and pyrazole rings are inclined at a dihedral angle of 18.32 (12)degrees with respect to each other. The acetate group is oriented at 80.75 (8) degrees with respect to the pyrazole ring. The crystal structure is stabilized by O-H center dot center dot center dot N and C-H center dot center dot center dot O hydrogen bonds, resulting in fused eight- and seven-membered rings with R-2(2) (8) and R-2(2) (7) graph-set motifs, respectively.
引用
收藏
页码:O1970 / +
页数:9
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