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5-(2-Methoxybenzyl)-4-(2-methoxyphenyl)-4H-1,2,4-triazol-3-ol

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5-(2-Methoxybenzyl)-4-(2-methoxyphenyl)-4H-1,2,4-triazol-3-ol 5-(2-Methoxybenzyl)-4-(2-methoxy- phenyl)-4H-1,2,4-triazol-3-ol Muhammad Hanif,a Ghulam Qadeer,a* Nasim Hasan Rama,a Javeed Akhtarb and Madeleine Helliwellb aDepartment of Chemistry, Quaid-I-Azam Univeristy, Islamabad 45320, Pakistan, and bThe Manchester Materials Science Centre and Department of Chemistry, University of Manchester, Oxford Road, Manchester M13 9PL, England Correspondence e-mail: [email protected] Received 11 January 2009; accepted 12 January 2009 Key indicators: single-crystal X-ray study; T = 100 K; mean �(C–C) = 0.002 A˚; R factor = 0.037; wR factor = 0.091; data-to-parameter ratio = 14.8. In the molecule of the title compound, C17H17N3O3, the triazole ring is oriented at dihedral angles of 88.09 (3) and 83.72 (3)� with respect to the 2-methoxybenzyl and 2- methoxyphenyl rings, respectively. The dihedral angle between the 2-methoxybenzyl and 2-methoxyphenyl rings is 52.95 (3)�. In the crystal structure, intermolecular N—H� � �O hydrogen bonds link the molecules into centrosymmetric dimers. There is a �–� contact between the 2-methoxyphenyl rings [centroid–centroid distance = 3.811 (3) A˚]. Related literature For general background, see: Demirbas et al. (2002); Holla et al. (1998); Kritsanida et al. (2002); Omar et al. (1986); Paul- vannan et al. (2000); Turan-Zitouni et al. (1999). For related structures, see: O¨ztu¨rk et al. (2004a,b). For bond-length data, see: Allen et al. (1987). Experimental Crystal data C17H17N3O3 Mr = 311.34 Monoclinic, P21=c a = 7.4941 (12) A˚ b = 8.3730 (13) A˚ c = 24.770 (4) A˚ � = 97.455 (2)� V = 1541.2 (4) A˚3 Z = 4 Mo K� radiation � = 0.09 mm�1 T = 100 (2) K 0.50 � 0.40 � 0.30 mm Data collection Bruker SMART CCD area-detector diffractometer Absorption correction: none 11912 measured reflections 3160 independent reflections 2888 reflections with I > 2�(I) Rint = 0.039 Refinement R[F 2 > 2�(F 2)] = 0.037 wR(F 2) =

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