Ethyl 2-{5-[(3-oxo-3,4-dihydro-2H-1,4-benzothiazin-4-yl)methyl]-1H-1,2,3-triazol-1-yl}acetate

被引:4
作者
Sebbar, Nada Kheira [1 ]
Zerzouf, Abdelfettah [2 ]
Essassi, El Mokhtar [1 ]
Saadi, Mohamed [3 ]
El Ammari, Lahcen [3 ]
机构
[1] Univ Mohammed V Agdal, Fac Sci, Lab Chim Organ He rocycl URAC, Pharmacochim, Av Ibn Battouta,BP 1014, Rabat, Morocco
[2] Lab Chim Organ & Etud Physico Chim, ENS Takaddoum, Rabat, Morocco
[3] Univ Mohammed Agdal, Fac Sci, Lab Chim Solide Appl, Rabat, Morocco
来源
ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS | 2014年 / 70卷
关键词
data-to-parameter ratio = 17.1; mean σ(C-C) = 0.003 Å; R factor = 0.045; single-crystal X-ray study; T = 296 K; wR factor = 0.124;
D O I
10.1107/S1600536813034697
中图分类号
O7 [晶体学];
学科分类号
0702 ; 070205 ; 0703 ; 080501 ;
摘要
In the title compound, C15H16N4O3S, the six-membered heterocycle of the benzothiazine fragment exhibits a screw boat conformation. The dihedral angle between the planes through the triazole ring and the benzene ring fused to the 1,4-thiazine ring is 62.98 (11)degrees. The mean plane formed by the atoms belonging to the acetate group is nearly perpendicular to the triazole ring [dihedral angle = 74.65 (12)degrees]. In the crystal, molecules are linked by pairs of C-H center dot center dot center dot O interactions, forming dimeric aggregates.
引用
收藏
页码:0116 / +
页数:8
相关论文
共 12 条
[1]   Methyl 2-(3-oxo-3,4-dihydro-2H-1,4-benzothiazin-4-yl)acetate [J].
Barryala, Yamna ;
Massip, Stephane ;
Lazar, Said ;
Essassi, El Mokhtar ;
Zouihri, Hafid .
ACTA CRYSTALLOGRAPHICA SECTION E-STRUCTURE REPORTS ONLINE, 2011, 67 :O724-U2711
[2]  
Bruker, 2009, APEX2 SAINT SADABS
[3]   GENERAL DEFINITION OF RING PUCKERING COORDINATES [J].
CREMER, D ;
POPLE, JA .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1975, 97 (06) :1354-1358
[4]   WinGX and ORTEP for Windows: an update [J].
Farrugia, Louis J. .
JOURNAL OF APPLIED CRYSTALLOGRAPHY, 2012, 45 :849-854
[5]   Azole derivatives of 1,4-benzothiazine as antifungal agents [J].
Fringuelli, R ;
Schiaffella, F ;
Bistoni, F ;
Pitzurra, L ;
Vecchiarelli, A .
BIOORGANIC & MEDICINAL CHEMISTRY, 1998, 6 (01) :103-108
[6]  
Keita A, 2000, ACTA CRYSTALLOGR C, V56, pE227
[7]  
LOPATINA K I, 1982, Pharmaceutical Chemistry Journal (English Translation of Khimiko-Farmatsevticheskii Zhurnal), V16, P110, DOI 10.1007/BF00762029
[8]   Synthesis of 7-chloro-5-trifluoromethyl/7-fluoro/7-trifluoromethyl-4H-1,4-benzothiazines as antimicrobial agents [J].
Rathore, Bhawani Singh ;
Kumar, M. .
BIOORGANIC & MEDICINAL CHEMISTRY, 2006, 14 (16) :5678-5682
[9]   A short history of SHELX [J].
Sheldrick, George M. .
ACTA CRYSTALLOGRAPHICA A-FOUNDATION AND ADVANCES, 2008, 64 :112-122
[10]   Structure validation in chemical crystallography [J].
Spek, Anthony L. .
ACTA CRYSTALLOGRAPHICA SECTION D-STRUCTURAL BIOLOGY, 2009, 65 :148-155