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

Journal Article · Sun Jul 15 00:00:00 EDT 2018 · Crystallography Reports

DOI:https://doi.org/10.1134/S1063774518040302· OSTI ID:22758219

Ünver, Yasemin ^[1]; Tanak, Hasan ^[2]

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1. Karadeniz Technical University, Department of Chemistry, Faculty of Sciences (Turkey)
2. Amasya University, Department of Physics, Faculty of Arts and Sciences (Turkey)

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)°. In the crystal structure, the molecules are connected by intermolecular N–H···O, N–H···N, O–H···O, and C–H···N type hydrogen bonds. The N–H···N and C–H···N hydrogen bonds link the molecules into infinite chains along the c axis.

• OSTI ID: 22758219
• Journal Information: Crystallography Reports, Journal Name: Crystallography Reports Journal Issue: 4 Vol. 63; ISSN 1063-7745; ISSN CYSTE3
• Country of Publication: United States
• Language: English

Related Subjects

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY
75 CONDENSED MATTER PHYSICS
SUPERCONDUCTIVITY AND SUPERFLUIDITY
HYDRATES
HYDROGEN
HYDROGEN 1
HYDROGEN 4
MOLECULAR STRUCTURE
MOLECULES
MONOCLINIC LATTICES
THIOPHENE
TRIAZOLES
X-RAY DIFFRACTION