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| Content Provider | World Health Organization (WHO)-Global Index Medicus |
|---|---|
| Author | Crawford, Lynne A. Parsons, Simon Ieva, Maria Mcnab, Hamish |
| Description | Author Affiliation: Crawford LA ( School of Chemistry, The University of Edinburgh, West Mains Road, Edinburgh, EH9 3JJ UK.) |
| Abstract | X-Ray crystal structures, and calculated structures (at B3LYP/6-31G level) are reported for seven N-arylbenzazoles (two carbazoles, indoles and benzimidazoles, and one indazole ) bearing electron withdrawing groups in the 2-position of the N-aryl ring. The structures are markedly non-planar by rotation around the N-aryl bond, with the substituent in most cases lying s- E in relation to the N-aryl bond; intermolecular electrostatic interactions in the crystal rationalise the two examples in which an s- Z conformation is observed. A large interplanar angle between the benzazole and the N-aryl planes is associated with a small interplanar angle between the planes of the N-aryl group and the substituent and vice versa. |
| ISSN | 14779226 |
| Issue Number | 30 |
| Volume Number | 39 |
| e-ISSN | 13645447 |
| Journal | Dalton Trans. |
| Language | English |
| Publisher | Royal Society of Chemistry |
| Publisher Date | 2010-08-14 |
| Publisher Place | Great Britain (UK) |
| Access Restriction | Subscribed |
| Subject Keyword | Benzimidazoles Chemistry Indazoles Indoles Computer Simulation Crystallography, X-Ray Models, Chemical Models, Molecular Molecular Structure Journal Article Research Support, Non-U.S. Gov't |
| Content Type | Text |
| Resource Type | Article |
| Subject | Inorganic Chemistry |
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