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5-(3-Methoxy-pheneth-yl)-4-(2-methoxy-phen-yl)-4H-1,2,4-triazol-3-ol.


ABSTRACT: In the mol-ecule of the title compound, C(18)H(19)N(3)O(3), the triazole ring is oriented with respect to the 3-methoxy-phenyl and 2-methoxy-phenyl rings at dihedral angles of 11.79?(3) and 89.22?(3)°, respectively. The dihedral angle between the two benzene rings is 85.95?(3)°. In the crystal structure, inter-molecular O-H?N and C-H?O hydrogen bonds link the mol-ecules. There is a ?-? contact between the triazole and 3-methoxy-phenyl rings [centroid-centroid distance = 3.916?(3)?Å]. There is a ?-? contact between the triazole and one of the 3-methoxy-phenyl rings [centroid-centroid distance = 3.916?(3)?Å ]. C-H?? contacts are also found between the benzene ring and the methyl groups of their 3-methoxy-substituents.

SUBMITTER: Hanif M 

PROVIDER: S-EPMC2959665 | biostudies-literature | 2008 Oct

REPOSITORIES: biostudies-literature

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5-(3-Methoxy-pheneth-yl)-4-(2-methoxy-phen-yl)-4H-1,2,4-triazol-3-ol.

Hanif Muhammad M   Qadeer Ghulam G   Rama Nasim Hasan NH   Wong Wai-Yeung WY  

Acta crystallographica. Section E, Structure reports online 20081025 Pt 11


In the mol-ecule of the title compound, C(18)H(19)N(3)O(3), the triazole ring is oriented with respect to the 3-methoxy-phenyl and 2-methoxy-phenyl rings at dihedral angles of 11.79 (3) and 89.22 (3)°, respectively. The dihedral angle between the two benzene rings is 85.95 (3)°. In the crystal structure, inter-molecular O-H⋯N and C-H⋯O hydrogen bonds link the mol-ecules. There is a π-π contact between the triazole and 3-methoxy-phenyl rings [centroid-centroid distance = 3.916 (3) Å]. There is a  ...[more]

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