2-[(1,3-Benzothiazol-2-yl)iminomethyl]-6-methoxyphenol: a new monoclinic polymorph

被引:2
|
作者
Abu Affan, Md. [1 ]
Jessop, Philip G. [1 ]
Salam, Md. Abdus [2 ]
Halim, Siti Nadiah Binti Abdul [3 ]
Tiekink, Edward R. T. [3 ]
机构
[1] Queens Univ, Dept Chem, Kingston, ON K7L 3N6, Canada
[2] Univ Malaysia Sarawak, Fac Resource Sci & Technol, Kota Samaharan 94300, Sawarak, Malaysia
[3] Univ Malaya, Dept Chem, Kuala Lumpur 50603, Malaysia
关键词
data-to-parameter ratio = 16.3; meanω(C - C) = 0.002 A °; Rfactor = 0.036; single-crystal X-ray study; T = 100 K; wRfactor = 0.095;
D O I
10.1107/S1600536813019387
中图分类号
O7 [晶体学];
学科分类号
0702 ; 070205 ; 0703 ; 080501 ;
摘要
The title compound, C15H12N2O2S, is a P2(1)/c polymorph of a previously reported P2(1)/n polymorph [Buyukgungor et al. (2004). Acta Cryst. E60, o1414-o1416]. The dihedral angle between the benzothiazole (r.m.s. deviation = 0.010 angstrom) and the benzene ring of 7.86 (6)degrees compares with 10.76 (10)degrees in the literature structure. The methoxy substituent is almost coplanar with the benzene ring to which it is attached [CO-C-C torsion angle = 178.31 (14)degrees] and the conformation about the imine bond [1.287 (2) angstrom] is E. There is an intramolecular O-H center dot center dot center dot N hydrogen bond and the hydroxy O and thioether S atoms are syn. In the crystal, columns are formed along the b axis as centrosymmetric dimeric aggregates, mediated by C-H center dot center dot center dot O interactions and linked by pi-pi interactions between the thiazole and benzene rings [centroid-to-centroid distance = 3.8256 (10) angstrom].
引用
收藏
页码:O1273 / +
页数:8
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