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作者:Gautam R. Desiraju
来源:[J].Acta Crystallogr B Struct Sci Cryst Eng Mater, 2017, Vol.73 (Pt 5), pp.775-778IUCr
摘要:Three approaches to the exploration of the crystal structure landscape are outlined. These are crystal structure prediction, non-ambient crystallography and charge density analysis.
作者:David K. Geiger , H. Cristina Geiger , Shawn M. Moore ...
来源:[J].Acta Crystallogr C Struct Chem, 2017, Vol.73 (Pt 10), pp.791-796IUCr
摘要:There are few examples of single-crystal structure determinations of gelators, as gel formation requires that the dissolved gelator self-assemble into a three-dimensional network structure incorporating solvent via noncovalent interactions rather than self-assembly followed by cr...
作者:Christian Jandl , Alexander Pö , thig
来源:[J].Acta Crystallogr C Struct Chem, 2017, Vol.73 (Pt 10), pp.810-813IUCr
摘要:The crystal structure of hydroxytropylium chloride, C 7 H 6 OH+·Cl, the hydrochloride salt of tropone, is described, which represents the first crystallographic characterization of an unfunctionalized hydroxytropylium ion. Crystals were obtaine...
作者:K. Shakuntala , S. Naveen , N. K. Lokanath ...
来源:[J].Acta Crystallogr C Struct Chem, 2017, Vol.73 (Pt 10), pp.833-844IUCr
摘要:The synthesis and evaluation of the pharmacological activities of molecules containing the sulfonamide moiety have attracted interest as these compounds are important pharmacophores. The crystal structures of three closely related N-aryl-2,5-dimethoxybenzenesulfonamides, nam...
作者:Mikhail E. Minyaev , Ilya E. Nifant'ev , Alexander N. Tavtorkin ...
来源:[J].Acta Crystallogr C Struct Chem, 2017, Vol.73 (Pt 10), pp.820-827IUCr
摘要:The crystal structures of rare-earth diaryl- or dialkylphosphate derivatives are poorly explored. Crystals of bis[bis(2,6-diisopropylphenyl)phosphato-κO]chloridotetrakis(methanol-κO)neodymium methanol disolvate, [Nd(C 24 H 34 O 4 P)Cl(CH 4 O) 4 ]·2CH 3 OH,...
作者:Jack Binns , Garry J McIntyre , José ...
来源:[J].Acta Crystallogr B Struct Sci Cryst Eng Mater, 2017, Vol.73 (Pt 5), pp.844-855IUCr
摘要:The phase transition sequences of two members of the tetramethylammonium tetrachlorometallate(III) family of hybrid organic–inorganic salts have been determined and structurally characterized as a function of temperature for the first time. Unusually, a reduction in point-gr...
作者:M. S. Nickolsky
来源:[J].Acta Crystallogr B Struct Sci Cryst Eng Mater, 2017, Vol.73 (Pt 5), pp.874-878IUCr
摘要:The distortion theorem is a conditional statement that establishes the certain relations between the variation of the mean bond length and the variation of the valence of a central ion of a coordination polyhedron. It was found that in some principal cases the conditional pa...
作者:Pradip Kumar Mondal , Hare Ram Yadav , Angshuman Roy Choudhury ...
来源:[J].Acta Crystallogr B Struct Sci Cryst Eng Mater, 2017, Vol.73 (Pt 5), pp.805-819IUCr
摘要:Strong hydrogen bonds play a significant role in crystal packing. In particular, the involvement of interactions involving fluorine in controlling the crystal packing requires appropriate attention, especially in the presence of other strong hydrogen bonds. In the present study, ...
作者:Viviana Cuartas , Braulio Insuasty , Justo Cobo ...
来源:[J].Acta Crystallogr C Struct Chem, 2017, Vol.73 (Pt 10), pp.784-790IUCr
摘要:The reaction of 5-chloro-3-methyl-1-phenyl-1H-pyrazole-4-carbaldehyde and N-benzylmethylamine under microwave irradiation gives 5-[benzyl(methyl)amino]-3-methyl-1-phenyl-1H-pyrazole-4-carbaldehyde, C 19 H 19 N 3 O, (I). Subsequent reactions under basic conditions, between (I) and...

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