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

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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Official URL: https://www.ncbi.nlm.nih.gov/pmc/articles/PMC37937...


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
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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