2-[(1,3-Benzothiazol-2-yl)iminomethyl]-6-methoxyphenol: A new monoclinic polymorph
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 liter...
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| Format: | Article |
| Language: | English |
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International Union of Crystallography
2013
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| Online Access: | http://ir.unimas.my/id/eprint/15958/ http://ir.unimas.my/id/eprint/15958/1/A%20new%20monoclinic%20polymorph%20%28abstrak%29.pdf |
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| author | Md. Abu, Affan G. Jessop, Philip Md. Abdus, Salam, Siti Nadiah, Binti Abdul Halim R. T. Tiekinkc, Edward |
| author_facet | Md. Abu, Affan G. Jessop, Philip Md. Abdus, Salam, Siti Nadiah, Binti Abdul Halim R. T. Tiekinkc, Edward |
| author_sort | Md. Abu, Affan |
| building | UNIMAS Institutional Repository |
| collection | Online Access |
| description | 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]. |
| first_indexed | 2025-11-15T06:47:58Z |
| format | Article |
| id | unimas-15958 |
| institution | Universiti Malaysia Sarawak |
| institution_category | Local University |
| language | English |
| last_indexed | 2025-11-15T06:47:58Z |
| publishDate | 2013 |
| publisher | International Union of Crystallography |
| recordtype | eprints |
| repository_type | Digital Repository |
| spelling | unimas-159582017-04-17T03:22:19Z http://ir.unimas.my/id/eprint/15958/ 2-[(1,3-Benzothiazol-2-yl)iminomethyl]-6-methoxyphenol: A new monoclinic polymorph Md. Abu, Affan G. Jessop, Philip Md. Abdus, Salam, Siti Nadiah, Binti Abdul Halim R. T. Tiekinkc, Edward QA Mathematics QD Chemistry 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]. International Union of Crystallography 2013 Article PeerReviewed text en http://ir.unimas.my/id/eprint/15958/1/A%20new%20monoclinic%20polymorph%20%28abstrak%29.pdf 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 https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3793768/ |
| spellingShingle | QA Mathematics QD Chemistry Md. Abu, Affan G. Jessop, Philip Md. Abdus, Salam, Siti Nadiah, Binti Abdul Halim R. T. Tiekinkc, Edward 2-[(1,3-Benzothiazol-2-yl)iminomethyl]-6-methoxyphenol: A new monoclinic polymorph |
| title | 2-[(1,3-Benzothiazol-2-yl)iminomethyl]-6-methoxyphenol: A new monoclinic polymorph |
| title_full | 2-[(1,3-Benzothiazol-2-yl)iminomethyl]-6-methoxyphenol: A new monoclinic polymorph |
| title_fullStr | 2-[(1,3-Benzothiazol-2-yl)iminomethyl]-6-methoxyphenol: A new monoclinic polymorph |
| title_full_unstemmed | 2-[(1,3-Benzothiazol-2-yl)iminomethyl]-6-methoxyphenol: A new monoclinic polymorph |
| title_short | 2-[(1,3-Benzothiazol-2-yl)iminomethyl]-6-methoxyphenol: A new monoclinic polymorph |
| title_sort | 2-[(1,3-benzothiazol-2-yl)iminomethyl]-6-methoxyphenol: a new monoclinic polymorph |
| topic | QA Mathematics QD Chemistry |
| url | http://ir.unimas.my/id/eprint/15958/ http://ir.unimas.my/id/eprint/15958/ http://ir.unimas.my/id/eprint/15958/1/A%20new%20monoclinic%20polymorph%20%28abstrak%29.pdf |