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(E)-4-(4-Hydroxy-3-methoxybenzylideneamino)-3-[1-(4-isobutylphenyl)ethyl]-1H-1,2,4-triazole-5(4H)-thione
The asymmetric unit of the title compound, C(22)H(26)N(4)O(2)S, contains two crystallographically independent molecules (A and B). The isobutyl unit of molecule B is disordered over two orientations with refined occupancies of 0.785 (6) and 0.215 (6). In each molecule, intramolecular C—H⋯S hydro...
Autores principales: | , , , |
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Formato: | Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2009
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2980163/ https://www.ncbi.nlm.nih.gov/pubmed/21580185 http://dx.doi.org/10.1107/S160053680905209X |
Sumario: | The asymmetric unit of the title compound, C(22)H(26)N(4)O(2)S, contains two crystallographically independent molecules (A and B). The isobutyl unit of molecule B is disordered over two orientations with refined occupancies of 0.785 (6) and 0.215 (6). In each molecule, intramolecular C—H⋯S hydrogen bonds generate S(6) ring motifs. The essentially planar 1,2,4-triazole rings [r.m.s. deviations of 0.004 (2) and 0.011 (2) Å, in A and B respectively] form dihedral angles of 85.86 (12), 8.38 (10)°, respectively, with the isobutyl-substituted phenyl ring and the 2-methoxyphenol substituent in molecule A [89.26 (13) and 2.46 (10)°, respectively, in B]. In the crystal structure, intermolecular N—H⋯N and N—H⋯S hydrogen bonds link neighbouring molecules, generating R (2) (2)(7) ring motifs. These molecules are further interconnected into extended chains along [20[Image: see text]] by intermolecular O—H⋯O hydrogen bonds. The crystal structure is further stabilized by π–π [centroid-centroid distance = 3.6299 (13) Å] and C—H⋯π interactions. A short O⋯O contact of 2.781 (2) Å is also observed. |
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