Md. Abu, Affan and G. Jessop, Philip and Md. Abdus, Salam, and Siti Nadiah, Binti Abdul Halim and R. T. Tiekinkc, Edward (2013) 2-[(1,3-Benzothiazol-2-yl)iminomethyl]-6-methoxyphenol: A new monoclinic polymorph. Acta Crystallographica Section E: Structure Reports Online, 69 (8). o1273. ISSN 1600-5368
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Abstract
The title compound, C15H12N2O2S, is a P21/c polymorph of a previously reported P21/n polymorph [Büyükgüngör et al. (2004). Acta Cryst. E60, o1414-o1416]. The dihedral angle between the benzothiazole (r.m.s. deviation = 0.010 Å) and the benzene ring of 7.86 (6)° compares with 10.76 (10)° in the literature structure. The methoxy substituent is almost coplanar with the benzene ring to which it is attached [C - O - C - C torsion angle = 178.31 (14)°] and the conformation about the imine bond [1.287 (2) Å] is E. There is an intramolecular O - H⋯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⋯O interactions and linked by π-π interactions between the thiazole and benzene rings [centroid-to-centroid distance = 3.8256 (10) Å].
| Item Type: | Article |
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| Uncontrolled Keywords: | 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, unimas, university, universiti, Borneo, Malaysia, Sarawak, Kuching, Samarahan, ipta, education, research, Universiti Malaysia Sarawak |
| Subjects: | Q Science > QA Mathematics Q Science > QD Chemistry |
| Divisions: | Academic Faculties, Institutes and Centres > Faculty of Resource Science and Technology Faculties, Institutes, Centres > Faculty of Resource Science and Technology |
| Depositing User: | Saman |
| Date Deposited: | 17 Apr 2017 03:22 |
| Last Modified: | 17 Apr 2017 03:22 |
| URI: | http://ir.unimas.my/id/eprint/15958 |
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