4-[(1-Benzyl-1,2,3-triazol-5-yl) methyl]-2H-1,4-benzothiazin-3(4H)-one

被引:1
|
作者
Sebbar, Nada Kheira [1 ]
El Fal, Mohammed [1 ]
Essassi, El Mokhtar [1 ]
Saadi, Mohamed [1 ]
El Ammari, Lahcen [1 ]
机构
[1] Univ Mohammed V Agdal, Fac Sci, URAC 21, Lab Chim Organ Heterocycl, Ave Ibn Battouta,BP 1014, Rabat, Morocco
来源
ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS | 2014年 / 70卷
关键词
Data-to-parameter ratio = 15.3; Mean σ(C-C) = 0.006 Å; R factor = 0.062; Single-crystal X-ray study; T = 296 K; wR factor = 0.167;
D O I
10.1107/S1600536814003900
中图分类号
O7 [晶体学];
学科分类号
0702 ; 070205 ; 0703 ; 080501 ;
摘要
The asymmetric unit of the title compound, C18H16N4OS, contains two independent molecules of similar conformation, the most relevant difference being the dihedral angle formed by the benzene rings [57.8 (2) and 52.7 (2)degrees]. The sixmembered heterocycle of the benzothiazine fragment exhibits a screw-boat conformation in both molecules. The plane through the triazole ring is nearly perpendicular to those through the fused and terminal benzene rings [dihedral angles of 74.2 (2) and 83.2 (2)degrees in one molecule, and 77.8 (2) and 82.9 (2)degrees in the other]. In the crystal, molecules are linked by C-H center dot center dot center dot N and C-H center dot center dot center dot O hydrogen bonds into chains parallel to the a-axis direction. The crystal used was a non-merohedral twin, the refined ratio of twin components being 0.85 (10): 15 (10).
引用
收藏
页码:O363 / +
页数:10
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