Crystal and Molecular Structures of Two 2-Aminothiophene Derivatives
The crystal and molecular structures of two 2-aminothiophene derivatives, potential allosteric enhancers at the human A1 adenosine receptor, are reported. (2-Amino-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)(phenyl)methanone (1) crystallizes in the orthorhombic space group Pna21 (a = 9.2080(4) Å, b = 1...
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doaj-c625bc8664914c5bb5fad83b26cf53db2020-11-24T23:25:29ZengMDPI AGCrystals2073-43522012-07-01231058106610.3390/cryst2031058Crystal and Molecular Structures of Two 2-Aminothiophene DerivativesAndagar R. RameshaPankaj DawarHemmige S. YathirajanGrzegorz DutkiewiczMaciej KubickiAlaloor S. DayanandaThe crystal and molecular structures of two 2-aminothiophene derivatives, potential allosteric enhancers at the human A1 adenosine receptor, are reported. (2-Amino-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)(phenyl)methanone (1) crystallizes in the orthorhombic space group Pna21 (a = 9.2080(4) Å, b = 14.0485(7) Å, c = 10.3826(6) Å), and (2-amino-5-ethylthiophen-3-yl)(2-chlorophenyl)methanone (2) crystalizes in the monoclinic P21/c space group with unit cell parameters a = 10.6092(8) Å, b = 10.8355(8) Å, c = 11.1346(9) Å, β = 98.643(6)Å. In both molecules the intramolecular N–H···O=C hydrogen bonds close six-membered planar rings and significantly influence the molecular conformation. Intermolecular N–H···O bonds connect the molecules in infinite chains along a in case of 1, and along b in 2; in each case the appropriate unit cell axis is approximately 10 Å long.http://www.mdpi.com/2073-4352/2/3/10582-aminothiophenescrystal structureconformationhydrogen bondsweak interactions |
collection |
DOAJ |
language |
English |
format |
Article |
sources |
DOAJ |
author |
Andagar R. Ramesha Pankaj Dawar Hemmige S. Yathirajan Grzegorz Dutkiewicz Maciej Kubicki Alaloor S. Dayananda |
spellingShingle |
Andagar R. Ramesha Pankaj Dawar Hemmige S. Yathirajan Grzegorz Dutkiewicz Maciej Kubicki Alaloor S. Dayananda Crystal and Molecular Structures of Two 2-Aminothiophene Derivatives Crystals 2-aminothiophenes crystal structure conformation hydrogen bonds weak interactions |
author_facet |
Andagar R. Ramesha Pankaj Dawar Hemmige S. Yathirajan Grzegorz Dutkiewicz Maciej Kubicki Alaloor S. Dayananda |
author_sort |
Andagar R. Ramesha |
title |
Crystal and Molecular Structures of Two 2-Aminothiophene Derivatives |
title_short |
Crystal and Molecular Structures of Two 2-Aminothiophene Derivatives |
title_full |
Crystal and Molecular Structures of Two 2-Aminothiophene Derivatives |
title_fullStr |
Crystal and Molecular Structures of Two 2-Aminothiophene Derivatives |
title_full_unstemmed |
Crystal and Molecular Structures of Two 2-Aminothiophene Derivatives |
title_sort |
crystal and molecular structures of two 2-aminothiophene derivatives |
publisher |
MDPI AG |
series |
Crystals |
issn |
2073-4352 |
publishDate |
2012-07-01 |
description |
The crystal and molecular structures of two 2-aminothiophene derivatives, potential allosteric enhancers at the human A1 adenosine receptor, are reported. (2-Amino-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)(phenyl)methanone (1) crystallizes in the orthorhombic space group Pna21 (a = 9.2080(4) Å, b = 14.0485(7) Å, c = 10.3826(6) Å), and (2-amino-5-ethylthiophen-3-yl)(2-chlorophenyl)methanone (2) crystalizes in the monoclinic P21/c space group with unit cell parameters a = 10.6092(8) Å, b = 10.8355(8) Å, c = 11.1346(9) Å, β = 98.643(6)Å. In both molecules the intramolecular N–H···O=C hydrogen bonds close six-membered planar rings and significantly influence the molecular conformation. Intermolecular N–H···O bonds connect the molecules in infinite chains along a in case of 1, and along b in 2; in each case the appropriate unit cell axis is approximately 10 Å long. |
topic |
2-aminothiophenes crystal structure conformation hydrogen bonds weak interactions |
url |
http://www.mdpi.com/2073-4352/2/3/1058 |
work_keys_str_mv |
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