Abstract
Two crystallographically independent molecules, A and B, with similar conformations are present in the asymmetric unit of the title compound, C18H16F2N4O4. In molecule A, the plane of the 1,2,4-triazole ring is tilted relative of the 4-difluoromethoxy-substituted and the 3,4-dimethoxy-substituted benzene rings by 6.5 (2) and 16.4 (1)°, respectively. The –CHF2 group is twisted away from the plane of the benzene ring, with a dihedral angle between the O—C bond of the OCHF2 group and the plane of the adjacent phenyl ring of 38.6 (3)°. The corresponding parameters for molecule B are 7.7 (1), 9.5 (2) and 25.2 (2)°. In both molecules, the conformations are stabilized by intramolecular N—H⋯N and C—H⋯O hydrogen bonds. There are also C—H⋯π contacts between the methyl groups and the benzene rings, and π–π stacking interactions between the benzene rings of adjacent parallel A molecules [centroid–centroid distance = 3.8942 (17) Å]. π–π interactions are also observed between the triazole ring and one of the benzene rings of parallel B molecules [centroid–centroid distance = 3.7055 (16) Å].
Highlights
A and B, with similar conformations are present in the asymmetric unit of the title compound, C18H16F2N4O4
Between parallel B molecules π–π interactions are observed between the triazole ring and one of the benzene rings
Symmetry codes: (i) −x+1, −y+1, −z+2; (ii) −x+2, −y+1, −z+1; (iii) −x+1, −y, −z+2; (iv) x+1, y, z
Summary
In molecule A, the plane of the 1,2,4-triazole ring is tilted relative of the 4difluoromethoxy-substituted and the 3,4-dimethoxy-substituted benzene rings by 6.5 (2) and 16.4 (1) , respectively. The –CHF2 group is twisted away from the plane of the benzene ring, with a dihedral angle between the O—C bond of the OCHF2 group and the plane of the adjacent phenyl ring of. In both molecules, the conformations are stabilized by intramolecular N—H N and C—. There are C—H contacts between the methyl groups and the benzene rings, and – stacking interactions between the benzene rings of adjacent parallel A molecules [centroid–centroid distance =. – interactions are observed between the triazole ring and one of the benzene rings of parallel B molecules [centroid–centroid distance = 3.7055 (16) Å]
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