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Abstract:The crystal and molecular structures of two 2-aminothiophene derivatives, potential allosteric enhancers at the human A 1 adenosine receptor, are reported. (2-Amino-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)(phenyl)methanone (1) crystallizes in the orthorhombic space group Pna2 1 (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 P2 1 /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.

The title compound {systematic name: 4-[bis(4-fluorophenyl)methyl]piperazin-1-ium 2,4,6-tri­nitro­phenolate}, C17H19F2N2 +·C6H2N3O7 −, is the picrate salt of a piperazine-supported amine bearing a benzhydryl substituent on one of its N atoms. During co-crystallisation, protonation took place on the N atom of the secondary amine functionality. The non-aromatic six-membered heterocycle adopts a chair conformation. In the crystal, N—H⋯O hydrogen bonds as well as C—H⋯O contacts connect the components into a three-dimensional network.

The title compound [systematic name: 4-diphenyl­methyl-1-(3-phenylprop-2-en-1-yl)-piperazin-1-ium 2-carb­oxy-4,6-dinitro­pheno­late], C26H29N2 +·C7H3N2O7 −, is the dinitro­salicylate salt of a tertiary amine. Deprotonation of the carb­oxy­lic acid group occurred on the phenolic hy­droxy group. The diaza­cyclo­hexane ring adopts a chair conformation. Intra­molecular O—H⋯O and inter­molecular C—H⋯O and N—H⋯O hydrogen bonds are observed. The N—H⋯O hydrogen bonds are bifurcated at the H atom and connect the cinnarizinium and 3,5-dinitro­salicylate ions together. Inter­molecular C—H⋯O hydrogen bonds connect the components into layers perpendicular to the crystallographic a axis.

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