2-[6-Thioxo-5-(2,4,6-trimethylphenyl)-1,3,5-thiadiazinan-3-yl]acetic acid

被引:5
作者
Arfan, Mohammad [2 ]
Tahir, M. Nawaz [1 ]
Shah, Muhammad Ishaq Ali [2 ]
Khan, Rassol [2 ]
Iqbal, Mohammad S. [3 ]
机构
[1] Univ Sargodha, Dept Phys, Sargodha, Pakistan
[2] Univ Peshawar, Inst Chem Sci, Peshawar 25120, Pakistan
[3] Govt Coll Univ, Dept Chem, Lahore, Pakistan
来源
ACTA CRYSTALLOGRAPHICA SECTION E-STRUCTURE REPORTS ONLINE | 2009年 / 65卷
关键词
D O I
10.1107/S1600536809011027
中图分类号
O7 [晶体学];
学科分类号
0702 ; 070205 ; 0703 ; 080501 ;
摘要
In the molecule of the title compound, C14H18N2O2S2, the 1,3,5-thiadiazinane-2-thione ring adopts an envelope conformation with one of the N atoms at the flap position. The plane throught the five co-planar atoms of the heterocycle is oriented at a dihedral angle of 80.59 (8)degrees with respect to the aromatic ring. In the crystal structure, weak intermolecular O-H center dot center dot center dot S interactions link the molecules into chains along the b axis.
引用
收藏
页码:O902 / U3237
页数:11
相关论文
共 9 条
[1]   TABLES OF BOND LENGTHS DETERMINED BY X-RAY AND NEUTRON-DIFFRACTION .1. BOND LENGTHS IN ORGANIC-COMPOUNDS [J].
ALLEN, FH ;
KENNARD, O ;
WATSON, DG ;
BRAMMER, L ;
ORPEN, AG ;
TAYLOR, R .
JOURNAL OF THE CHEMICAL SOCIETY-PERKIN TRANSACTIONS 2, 1987, (12) :S1-S19
[2]   3-Benzyl-5-butyl-1,3,5-thiadiazinane-2-thione [J].
Arfan, Mohammad ;
Tahir, M. Nawaz ;
Shah, Muhammad Ishaq Ali ;
Iqbal, Mohammad S. .
ACTA CRYSTALLOGRAPHICA SECTION E-STRUCTURE REPORTS ONLINE, 2009, 65 :O468-U1327
[3]  
Bruker, 2007, APEX2 SAINT
[4]  
Bruker, 2005, SADABS
[5]  
Farrugia L. J., 1999, J. Appl. Crystallogr, V32, P837, DOI [DOI 10.1107/S0021889812029111, DOI 10.1107/S0021889899006020]
[6]  
Farrujia LJ., 1997, J APPL CRYSTALLOGR, V30, P565, DOI [10.1107/S0021889897003117, DOI 10.1107/S0021889897003117]
[7]   A joint theoretical and experimental structural study of 5-carboxyethyl-3-(2′-furfurylmethyl) tetrahydro-2H-1,3,5-thiadiazine-2-thione [J].
Pérez, R ;
Suárez, M ;
Ochoa, E ;
Rodríguez, H ;
Martín, N ;
Seoane, C ;
Novoa, H ;
Blaton, N ;
Peeters, OM ;
De Ranter, C .
TETRAHEDRON, 2001, 57 (34) :7361-7367
[8]   A short history of SHELX [J].
Sheldrick, George M. .
ACTA CRYSTALLOGRAPHICA A-FOUNDATION AND ADVANCES, 2008, 64 :112-122
[9]   Structure validation in chemical crystallography [J].
Spek, Anthony L. .
ACTA CRYSTALLOGRAPHICA SECTION D-STRUCTURAL BIOLOGY, 2009, 65 :148-155