Abstract
In the title compound, C12H12N6·4H2O, the two triazole rings adopt a cis configuration with a crystallographic twofold axis passing through the central benzene group. The benzene and triazole rings are almost coplanar with a dihedral angle of 5.5 (1)°. In the crystal, water molecules are joined together by OW—H⋯OW hydrogen bonds to form a one-dimensional zigzag chain. These water chains are further connected to the organic molecule, forming a three-dimensional network by intermolecular OW—H⋯N and N—H⋯OW hydrogen bonds. Moreover, π–π stacking interactions between triazole rings [centroid–centroid distances = 3.667 (1)–3.731 (1) Å] are observed. One of the water molecules shows one of the H atoms to be disordered over two positions.
Highlights
C12H12N64H2O, the two triazole rings adopt a cis configuration with a crystallographic twofold axis passing through the central benzene group
The benzene and triazole rings are almost coplanar with a dihedral angle of
Water molecules are joined together by OW—H OW hydrogen bonds to form a one-dimensional zigzag chain. These water chains are further connected to the organic molecule, forming a three-dimensional network by intermolecular OW—H N and N—H OW hydrogen bonds
Summary
Hong-Can Wanga a Faculty of Chemistry and Chemical Engineering, Yunnan Normal University, Kunming 650092, People’s Republic of China, and bDepartment of Chemistry, Zhengzhou Normal University, Zhengzhou 450044, People’s Republic of China. C12H12N64H2O, the two triazole rings adopt a cis configuration with a crystallographic twofold axis passing through the central benzene group. The benzene and triazole rings are almost coplanar with a dihedral angle of. Water molecules are joined together by OW—H OW hydrogen bonds to form a one-dimensional zigzag chain. These water chains are further connected to the organic molecule, forming a three-dimensional network by intermolecular OW—H N and N—H OW hydrogen bonds. – stacking interactions between triazole rings [centroid–centroid distances = 3.667 (1)–3.731 (1) Å] are observed. One of the water molecules shows one of the H atoms to be disordered over two positions
Sign-in/Register to view highlights & summary Sign-in/Register to access full text options 
Free) 
Talk to us
Join us for a 30 min session where you can share your feedback and ask us any queries you have
Schedule a call
