1-[4-(Difluoro-meth-oxy)phen-yl]-N-(3,4-dimeth-oxy-phen-yl)-1H-1,2,4-triazole-3-carboxamide.
Acta Crystallogr Sect E Struct Rep Online
; 66(Pt 9): o2267-8, 2010 Aug 11.
Article
en En
| MEDLINE
| ID: mdl-21588626
Two crystallographically independent mol-ecules, A and B, with similar conformations are present in the asymmetric unit of the title compound, C(18)H(16)F(2)N(4)O(4). In mol-ecule A, the plane of the 1,2,4-triazole ring is tilted relative of the 4-difluoro-meth-oxy-substituted and the 3,4-dimeth-oxy-substituted benzene rings by 6.5â
(2) and 16.4â
(1)°, respectively. The -CHF(2) group is twisted away from the plane of the benzene ring, with a dihedral angle between the O-C bond of the OCHF(2) group and the plane of the adjacent phenyl ring of 38.6â
(3)°. The corresponding parameters for mol-ecule B are 7.7â
(1), 9.5â
(2) and 25.2â
(2)°. In both mol-ecules, the conformations are stabilized by intra-molecular N-Hâ¯N and C-Hâ¯O hydrogen bonds. There are also C-Hâ¯π contacts between the methyl groups and the benzene rings, and π-π stacking inter-actions between the benzene rings of adjacent parallel A mol-ecules [centroid-centroid distance = 3.8942â
(17)â
Å]. π-π inter-actions are also observed between the triazole ring and one of the benzene rings of parallel B mol-ecules [centroid-centroid distance = 3.7055â
(16)â
Å].
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01-internacional
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MEDLINE
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En
Revista:
Acta Crystallogr Sect E Struct Rep Online
Año:
2010
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Article