Article thumbnail

Ethyl 4-benzamido-5-phenyl-4H-1,2,4-triazole-3-carboxyl­ate monohydrate

By Li Wang, Xue-Ying Liu, Ping-An Wang, Peng Liu and Sheng-Yong Zhang

Abstract

In the title compound, C18H16N4O3·H2O, the dihedral angles between the triazole ring and the phenyl rings are 84.8 (4) and and 39.8 (4)°. The phenyl rings make a dihedral angle of 84.5 (9)°. In the crystal, the molecules are linked by N—H⋯O and O—H⋯N hydrogen bonds. An intra­molecular O⋯N inter­action also occurs [2.827 (3) Å

Topics: Organic Papers
Publisher: International Union of Crystallography
OAI identifier: oai:pubmedcentral.nih.gov:3100036
Provided by: PubMed Central

To submit an update or takedown request for this paper, please submit an Update/Correction/Removal Request.

Suggested articles

Citations

  1. Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) x y z Uiso*/Ueq
  2. (1973). organic compounds Acta Cryst.