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(E)-4-[(4-Fluorobenzylidene)amino]-3-[1-(4-isobutylphenyl)ethyl]-1-(morpholinomethyl)-1H-1,2,4-triazole-5(4H)-thione methanol hemisolvate
| Content Provider | Semantic Scholar |
|---|---|
| Author | Vinayaka, Ajjampura C. Kalluraya, Balakrishna |
| Copyright Year | 2010 |
| Abstract | In the title compound, C(26)H(32)FN(5)OS·0.5CH(4)O, the methyl group of the methanol solvent mol-ecule is disordered over two sites with equal occupancies and the solvent is further disordered about a crystallographic twofold rotation axis. The organic mol-ecule exists in a trans configuration with respect to the acyclic C=N bond. An intra-molecular C-H⋯S hydrogen bond generates an S(6) ring motif. The morpholine ring adopts a chair conformation. The essentially planar 1,2,4-triazole ring [maximum deviation = 0.013 (2) Å] forms dihedral angles of 11.21 (10) and 67.53 (11)°, respectively, with the fluoro-phenyl unit and the isobutyl-substituted benzene ring. The crystal structure is stabilized by a weak inter-molecular C-H⋯π inter-action. |
| Starting Page | o1233 |
| Ending Page | o1234 |
| Page Count | 2 |
| File Format | PDF HTM / HTML |
| DOI | 10.1107/S1600536810015217 |
| PubMed reference number | 21579255 |
| Journal | Medline |
| Volume Number | 66 |
| Alternate Webpage(s) | http://ftp.ncbi.nlm.nih.gov/pub/pmc/c5/52/e-66-o1233.PMC2979111.pdf |
| Alternate Webpage(s) | http://journals.iucr.org/e/issues/2010/05/00/lh5026/lh5026.pdf |
| Alternate Webpage(s) | https://doi.org/10.1107/S1600536810015217 |
| Journal | Acta crystallographica. Section E, Structure reports online |
| Language | English |
| Access Restriction | Open |
| Content Type | Text |
| Resource Type | Article |
