The title compound, C(23)H(30)ClN(5)O(3) (2+)·2Cl(-)·0.5H(2)O, was synthesized by N-alkyl-ation of 1-({[5-(4-chloro-phen-yl)-2-furan-yl]methyl-ene}amino)-2,4-imidazolidinedione with 1-bromo-4-chloro-butane, and N-methyl-piperazine. In the crystal, the cations, anions and water mol-ecules are linked by O-H⋯Cl and N-H⋯Cl hydrogen bonds.
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http://dx.doi.org/10.1107/S1600536811000560 | DOI Listing |
IUCrdata
August 2021
Radboud University, Institute for Molecules and Materials, Heyendaalseweg 135, 6525 AJ, Nijmegen, The Netherlands.
The structure of the title hydrated salt, CHN ·2Cl·0.5HO, at 150 K has monoclinic (2/) symmetry. The water mol-ecule is located on a twofold rotation axis.
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April 2021
Department of Chemistry and Physics, Florida Gulf Coast University, 10501 FGCU Blvd. South, Fort Myers, FL, 33965, USA.
Numerous non-covalent inter-actions link together discrete mol-ecules in the crystal structure of the title compound, 2CHNO ·4Cl·HO {systematic name: 4-[(5-ethenyl-1-azonia-bicyclo-[2.2.2]octan-2-yl)(hy-droxy)meth-yl]-6-meth-oxy-quinolin-1-ium dichloride hemihydrate}.
View Article and Find Full Text PDFActa Crystallogr E Crystallogr Commun
February 2020
Department of Chemistry, VNU University of science, Vietnam National University, Hanoi, 19 Le Thanh Tong, Hanoi, Vietnam.
A peptide biphenyl hybrid compound {systematic name: dimethyl 2,2'-[((2,2')-2,2'-{[(2,2')-1,1'-([1,1'-biphen-yl]-2,2'-dicarbon-yl)bis-(pyrrolidine-1,2-diyl-2-carbon-yl)]bis-(aza-nedi-yl)}bis-(3-phenyl-propano-yl))bis-(aza-nedi-yl)](2,2')-dipropionate hemihydrate}, CHNO·0.5HO, was prepared by coupling of [1,1'-biphen-yl]-2,2'-dicarbonyl dichloride, tri-ethyl-amine and the tripeptide Pro-Phe-Ala in CHCl at 273 K under an N atmosphere. In the crystal, the asymmetric unit contains the peptide biphenyl hybrid accompanied by one-half of a water mol-ecule.
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July 2018
Biological and Chemical Research Center, Department of Chemistry, University of Warsaw, ul. Żwirki i Wigury 101, Warszawa 02-089, Poland.
This paper presents experimental charge-density studies of cytosinium chloride, adeninium chloride hemihydrate and guaninium dichloride crystals based on ultra-high-resolution X-ray diffraction data and extensive theoretical calculations. The results confirm that the cohesive energies of the studied systems are dominated by contributions from intermolecular electrostatic interactions, as expected for ionic crystals. Electrostatic interaction energies () usually constitute 95% of the total interaction energy.
View Article and Find Full Text PDFActa Crystallogr Sect E Struct Rep Online
June 2014
Department of Chemistry, Keene State College, 229 Main Street, Keene, NH 03435-2001, USA.
The asymmetric unit of the title monohydrated salt, 2C26H28F2N2 (2+)·4Cl(-.)H2O, consists of a 1-[bis-(4-fluoro-phen-yl)meth-yl]-4-[(2Z)-3-phenyl-prop-2-en-1-yl]piperazine-1,4-diium cation with a diprotonated piperizine ring in close proximity to two chloride anions and a single water mol-ecule that lies on a twofold rotation axis. In the cation, the piperazine ring adopts a slightly distorted chair conformation.
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