Crystal structure of [4-(2-methoxyphenyl)-3-methyl-1-phenyl-6-trifluoromethyl-1H-pyrazolo[3,4-b]pyridin-5-yl](thiophen-2-yl)methanone
| Autor: | Rajaputi Venkatraman Krishnakumar, V. Rajni Swamy, Peter Müller, Pethaiah Gunasekaran, N. Srinivasan |
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| Přispěvatelé: | Massachusetts Institute of Technology. Department of Chemistry, Mueller, Peter |
| Jazyk: | angličtina |
| Rok vydání: | 2014 |
| Předmět: |
1H-pyrazolo[3
4-b]pyridine crystal structure Crystallography Hydrogen bond Thio General Chemistry Meth Crystal structure Dihedral angle Condensed Matter Physics Ring (chemistry) Bioinformatics Medicinal chemistry Data Reports Crystal 1H-pyrazolo[3 4-b]pyridine hydrogen bonding graph-set analysis chemistry.chemical_compound chemistry QD901-999 General Materials Science |
| Zdroj: | International Union of Crystallography (IUCr) Acta Crystallographica Section E, Vol 70, Iss 9, Pp o974-o975 (2014) Acta Crystallographica Section E: Structure Reports |
| Popis: | The title compound, C26H18F3N3O2S, a 2-methoxy-substituted derivative, is closely related to its 4-methyl- and 4-chloro-substituted analogues and yet displays no structural relationships with them. The thiophene ring is disorder free and the –CF3group exhibits disorder, respectively, in contrast and similar to that observed in the 4-methyl- and 4-chloro-substituted derivatives. The torsion angle which defines the twist of the thiophene ring is −69.6 (2)° (gauche) in the title compound, whereas it is anticlinal in the 4-methyl- and 4-chloro-substituted derivatives, with respective values of 99.9 (2) and 99.3 (2)°. The absence of disorder in the thiophene ring facilitates one of its ring C atoms to participate in the lone intermolecular C—H...O hydrogen bond present in the crystal, leading to a characteristicC(5) chain graph-set motif linking molecules related through glides along [010]. An intramoleculr C—H...N hydrogen bond also occurs. |
| Databáze: | OpenAIRE |
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