Crystal and Molecular Structures of Two 2-Aminothiophene Derivatives

Crystals

Maciej Kubicki¹  Grzegorz Dutkiewicz¹  Hemmige S. Yathirajan²  Pankaj Dawar³  Andagar R. Ramesha² 

[1] Faculty of Chemistry, Adam Mickiewicz University, Grunwaldzka 6, 60-780 Poznań, Poland;Department of Studies in Chemistry, University of Mysore, Mysore 570 006, India;R. L. Fine Chem, No. 15, KHB Industrial area, Yelahanka New Town, Bengaluru 560 106, India;

关键词: 2-aminothiophenes;    crystal structure;    conformation;    hydrogen bonds;    weak interactions;   

DOI  :  10.3390/cryst2031058

来源: mdpi

【 摘 要 】

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.

【 授权许可】

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