Crystal Structure of 4-Amino-3-(thiophen-2-ylmethyl)-1H-1,2,4-triazole-5(4H)one Monohydrate


ÜNVER Y. , Tanak H.

CRYSTALLOGRAPHY REPORTS, cilt.63, ss.585-588, 2018 (SCI İndekslerine Giren Dergi) identifier identifier

  • Cilt numarası: 63 Konu: 4
  • Basım Tarihi: 2018
  • Doi Numarası: 10.1134/s1063774518040302
  • Dergi Adı: CRYSTALLOGRAPHY REPORTS
  • Sayfa Sayıları: ss.585-588

Özet

The molecular structure of the 4-amino-3-(thiophen-2-ylmethyl)-1H-1,2,4-triazole-5(4H)one monohydrate was determined by X-ray diffraction. The compound crystallizes in the monoclinic sp. gr. C2/c with Z = 4 in the unit cell. The title compound is not planar. The dihedral angle between the thiophene and 1,2,4-triazole rings is 73.4(5)A degrees. In the crystal structure, the molecules are connected by intermolecular N-H center dot center dot center dot O, N-H center dot center dot center dot N, O-H center dot center dot center dot O, and C-H center dot center dot center dot N type hydrogen bonds. The N-H center dot center dot center dot N and C-H center dot center dot center dot N hydrogen bonds link the molecules into infinite chains along the c axis.