4-{3-[(2-Isopropyl-5-methylphenoxy)methyl]-7H-1,2,4-triazolo[3,4-b][1,3,4]thiadiazin-6-yl}-3-(p-tolyl)sydnone

被引:2
作者
Goh, Jia Hao [1 ]
Fun, Hoong-Kun [1 ]
Nithinchandra [2 ]
Kalluraya, B. [2 ]
机构
[1] Univ Sains Malaysia, Sch Phys, Xray Crystallog Unit, George Town 11800, Malaysia
[2] Mangalore Univ, Dept Studies Chem, Mangalagangothri 574199, Karnataka, India
来源
ACTA CRYSTALLOGRAPHICA SECTION E-STRUCTURE REPORTS ONLINE | 2010年 / 66卷
关键词
D O I
10.1107/S1600536810030205
中图分类号
O7 [晶体学];
学科分类号
0702 ; 070205 ; 0703 ; 080501 ;
摘要
In the title triazolothiadiazin compound, C(24)H(24)N(6)O(3)S (systematic name: 4-{3-[(2-isopropyl-5-methylphenoxy)methyl]-7H-1,2,4-triazolo[3,4-b][1,3,4]thiadiazin-6-yl}-3-(4-methylphenyl)-1,2,3-oxadiazol-3-ium-5-olate), an intramolecular C-H center dot center dot center dot O hydrogen bond generates an S(6) ring motif. The two terminal methyl groups of the isopropyl unit are disordered over two sets of positions in a 0.715 (4):0.285 (4) ratio. The mean planes formed through the major and minor disordered isopropyl units are inclined at interplanar angles of 73.1 (4) and 86.6 (8)degrees, respectively, with the attached phenyl ring. The 3,6-dihydro-1,3,4-thiadiazine ring adopts a twist-boat conformation. The interplanar angle formed between 1,2,3-oxadiazole and 1,2,4-triazole rings is 18.80 (11)degrees. In the crystal, neighbouring molecules are linked into sheets lying parallel to the bc plane by C-H center dot center dot center dot N hydrogen bonds. Weak intermolecular pi-pi interactions [centroid-centroid distances = 3.2935 (11) and 3.5590 (12) angstrom] further stabilize the crystal structure.
引用
收藏
页码:O2198 / U1338
页数:14
相关论文
共 14 条
[1]  
[Anonymous], 2009, APEX2 SAINT SADABS
[2]   PATTERNS IN HYDROGEN BONDING - FUNCTIONALITY AND GRAPH SET ANALYSIS IN CRYSTALS [J].
BERNSTEIN, J ;
DAVIS, RE ;
SHIMONI, L ;
CHANG, NL .
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION, 1995, 34 (15) :1555-1573
[3]   A NITROGEN-GAS-STREAM CRYOSTAT FOR GENERAL X-RAY-DIFFRACTION STUDIES [J].
COSIER, J ;
GLAZER, AM .
JOURNAL OF APPLIED CRYSTALLOGRAPHY, 1986, 19 (02) :105-107
[4]   GENERAL DEFINITION OF RING PUCKERING COORDINATES [J].
CREMER, D ;
POPLE, JA .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1975, 97 (06) :1354-1358
[5]   4-[3-(Phenoxymethyl)-7H-1,2,4-triazolo[3,4-b][1,3,4]thiadiazin-6-yl]-3-(p-tolyl)sydnone [J].
Goh, Jia Hao ;
Fun, Hoong-Kun ;
Nithinchandra ;
Kalluraya, B. .
ACTA CRYSTALLOGRAPHICA SECTION E-STRUCTURE REPORTS ONLINE, 2010, 66 :O2178-U2596
[6]   3-Phenyl-4-{3-[(p-tolyloxy)methyl]-7H-1,2,4-triazolo[3,4-b][1,3,4]thiadiazin-6-yl}sydnone [J].
Goh, Jia Hao ;
Fun, Hoong-Kun ;
Nithinchandra ;
Kalluraya, B. .
ACTA CRYSTALLOGRAPHICA SECTION E-STRUCTURE REPORTS ONLINE, 2010, 66 :O2162-U2478
[7]   4-[3-(1-Naphthyloxymethyl)-7H-1,2,4-triazolo[3,4-b][1,3,4]thiadiazin-6-yl]-3-p-tolylsydnone [J].
Goh, Jia Hao ;
Fun, Hoong-Kun ;
Nithinchandra ;
Kalluraya, B. .
ACTA CRYSTALLOGRAPHICA SECTION E-STRUCTURE REPORTS ONLINE, 2010, 66 :O1394-U1324
[8]   4-Formyl-3-p-tolylsydnone [J].
Goh, Jia Hao ;
Fun, Hoong-Kun ;
Nithinchandra ;
Kalluraya, B. .
ACTA CRYSTALLOGRAPHICA SECTION E-STRUCTURE REPORTS ONLINE, 2010, 66 :O1303-U500
[9]  
Kalluraya B, 2003, INDIAN J HETEROCY CH, V12, P355
[10]  
Kalluraya B, 1997, POL J CHEM, V71, P1049