Crystal structure of 3-benzoyl-2-[(5-bromo-2-hydroxy-3-methoxybenzylidene)amino]-4,5,6,7-tetrahydrobenzo[b]thiophene
| Autor: | Kaur, M., Jasinski, J.P., Yathirajan, H.S., Glidewell, C., Byrappa, K., Stoeckli-Evans, H. |
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| Přispěvatelé: | University of St Andrews. School of Chemistry |
| Rok vydání: | 2015 |
| Předmět: |
Hydrogen bonding
crystal structure Schliff base Stereochemistry Thio Crystal structure Dihedral angle Ring (chemistry) Medicinal chemistry Research Communications lcsh:Chemistry 4 5 6 7-tetrahydrobenzo[b]thiophene Schiff base chemistry.chemical_compound 2-aminothiophene QD General Materials Science biology Hydrogen bond Aryl DAS 4 5 6 7-tetrahydrobenzo[b]thiophene General Chemistry QD Chemistry hydrogen bonding Condensed Matter Physics biology.organism_classification 2-aminothiophene lcsh:QD1-999 chemistry Tetra |
| Zdroj: | Acta Crystallographica Section E: Crystallographic Communications Acta Crystallographica Section E: Crystallographic Communications, Vol 71, Iss 2, Pp 176-179 (2015) |
| ISSN: | 2056-9890 |
| Popis: | In the title compound, the planes of the benzene and phenyl rings are inclined to the thiophene ring by 35.2 (4) and 57.7 (3)°, respectively, while the planes of the two aryl rings are almost normal to one another, making a dihedral angle of 86.4 (6)°. In the crystal, molecules are linked by C—H⋯O hydrogen bonds, forming chains propagating along the a-axis direction. In the cyclohexene ring of the title compound, C23H20BrNO3S, the –(CH2)4– atoms are positionally disordered [occupancy ratio = 0.753 (6):0.247 (6)]. The ring has a half-chair conformation for both the major and minor components. The dihedral angles between the mean plane of the thiophene ring and those of the benzene and phenyl rings are 35.2 (4) and 57.7 (3)°, respectively. The planes of the two aryl rings are twisted with respect to each other by 86.4 (6)°. In the molecule, there is an O—H⋯N hydrogen bond forming an S(6) ring motif. In the crystal, molecules are linked via C—H⋯O hydrogen bonds, forming chains parallel to [100]. |
| Databáze: | OpenAIRE |
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