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

Abstract

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.

Authors:
 [1];  [2]
  1. Karadeniz Technical University, Department of Chemistry, Faculty of Sciences (Turkey)
  2. Amasya University, Department of Physics, Faculty of Arts and Sciences (Turkey)
Publication Date:
OSTI Identifier:
22758219
Resource Type:
Journal Article
Journal Name:
Crystallography Reports
Additional Journal Information:
Journal Volume: 63; Journal Issue: 4; Other Information: Copyright (c) 2018 Pleiades Publishing, Inc.; Country of input: International Atomic Energy Agency (IAEA); Journal ID: ISSN 1063-7745
Country of Publication:
United States
Language:
English
Subject:
75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY; 37 INORGANIC, ORGANIC, PHYSICAL AND ANALYTICAL CHEMISTRY; HYDRATES; HYDROGEN; HYDROGEN 1; HYDROGEN 4; MOLECULAR STRUCTURE; MOLECULES; MONOCLINIC LATTICES; THIOPHENE; TRIAZOLES; X-RAY DIFFRACTION

Citation Formats

Ünver, Yasemin, and Tanak, Hasan. Crystal Structure of 4-Amino-3-(thiophen-2-ylmethyl)-1H-1,2,4-triazole-5(4H)one Monohydrate. United States: N. p., 2018. Web. doi:10.1134/S1063774518040302.
Ünver, Yasemin, & Tanak, Hasan. Crystal Structure of 4-Amino-3-(thiophen-2-ylmethyl)-1H-1,2,4-triazole-5(4H)one Monohydrate. United States. doi:10.1134/S1063774518040302.
Ünver, Yasemin, and Tanak, Hasan. Sun . "Crystal Structure of 4-Amino-3-(thiophen-2-ylmethyl)-1H-1,2,4-triazole-5(4H)one Monohydrate". United States. doi:10.1134/S1063774518040302.
@article{osti_22758219,
title = {Crystal Structure of 4-Amino-3-(thiophen-2-ylmethyl)-1H-1,2,4-triazole-5(4H)one Monohydrate},
author = {Ünver, Yasemin and Tanak, Hasan},
abstractNote = {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.},
doi = {10.1134/S1063774518040302},
journal = {Crystallography Reports},
issn = {1063-7745},
number = 4,
volume = 63,
place = {United States},
year = {2018},
month = {7}
}