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3,5-Bis(4-methoxy-phen-yl)-1H-1,2,4-triazole monohydrate.

ABSTRACT: In the title compound, C(16)H(15)N(3)O(2)·H(2)O, the two benzene rings and the triazole ring lie almost in the same plane, the triazole ring forming dihedral angles of 5.07?(9) and 5.80?(8)° with the benzene rings. In the crystal, there are three relatively strong inter-molecular O-H?N and N-H?O hydrogen bonds, which lead to the formation of a one-dimensional double chain running parallel to the a axis. Weak ?-? inter-actions between the benzene rings of neighboring chains with a centroid-centroid distance of 3.893?(4)?Å result in the formation of layers parallel to the ac plane.

SUBMITTER: Wang HY

PROVIDER: S-EPMC2969559 | biostudies-literature | 2009 May

REPOSITORIES: biostudies-literature

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3,5-Bis(4-methoxy-phen-yl)-1H-1,2,4-triazole monohydrate.

Wang Hai-Ying HY Ma Jian-Ping JP Huang Ru-Qi RQ Dong Yu-Bin YB

Acta crystallographica. Section E, Structure reports online 20090514 Pt 6

In the title compound, C(16)H(15)N(3)O(2)·H(2)O, the two benzene rings and the triazole ring lie almost in the same plane, the triazole ring forming dihedral angles of 5.07 (9) and 5.80 (8)° with the benzene rings. In the crystal, there are three relatively strong inter-molecular O-H⋯N and N-H⋯O hydrogen bonds, which lead to the formation of a one-dimensional double chain running parallel to the a axis. Weak π-π inter-actions between the benzene rings of neighboring chains with a centroid-centro ...[more]

PMID: 21583125

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