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Crystal structure and Hirshfeld surface analysis of the layered hybrid metal halide poly[bis-(2-iodoethyl-ammonium) [di-μ-iodido-di-iodido-germanate(II)]]. [PDF]
Kucheriv OI+4 more
europepmc +1 more source
Crystal structure and Hirshfeld surface analysis of chlorido-(2,6-di-methyl-phenyl isocyanide)[<i>N</i>'-(2,6-di-methyl-phen-yl)-<i>N</i>-(pyridin-2-yl)carbamimido-yl]platinum(II). [PDF]
Repina OV+9 more
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CrystEngComm, 2009
In the last few years the analysis of molecular crystal structures using tools based on Hirshfeld surfaces has rapidly gained in popularity. This approach represents an attempt to venture beyond the current paradigm—internuclear distances and angles, crystal packing diagrams with molecules represented via various models, and the identification of close
M. Spackman, D. Jayatilaka
semanticscholar +3 more sources
In the last few years the analysis of molecular crystal structures using tools based on Hirshfeld surfaces has rapidly gained in popularity. This approach represents an attempt to venture beyond the current paradigm—internuclear distances and angles, crystal packing diagrams with molecules represented via various models, and the identification of close
M. Spackman, D. Jayatilaka
semanticscholar +3 more sources
Hirshfeld Surface Analysis of a Zn(II) Polymer [PDF]
A new Zn-based complex with oxalate, namely [NH2(CH3)2][Zn(Ox)1.5] · DMF · H2O (I) (Ox = oxalate), has been synthesized and structurally characterized. Single-crystal X-ray analysis of compound I reveals that the Ox ligand links the Zn(II) center, generating an intricate 2D classical honeycomb-like architecture (CIF file CCDC no. 1028787).
Abhinav Kumar+4 more
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Hirshfeld surface analysis of new phosphoramidates
Acta Crystallographica Section B Structural Science Crystal Engineering and Materials, 2013Hirshfeld surfaces and two-dimensional fingerprint plots are used to visualize and analyze intermolecular interactions in six new phosphoramidate structures, [2,6-F2-C6H3C(O)NH]P(O)[X]2 {X = N(C2H5)2 (1), [X]2 = NHCH2C(CH3)2CH2NH and with one CH3OH solvated molecule (2)}, [C6H5O]2P(O)Y [Y = NC4H8O (3), NHC6H4(3-Br) (4)] and [Z]2P(O)OP(O)[Z]2 [Z = N(CH3)
Arnold L. Rheingold+7 more
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Hirshfeld Surface Analysis of Substituted Phenols
Crystal Growth & Design, 2010The effect of para-substituents on the crystal packing of phenols has been investigated, for systems bearing nonpolar groups (tert-butyl and benzyl, compounds 1 and 2, respectively) and for methylene linked bis-phenol bearing polar nitro groups (compound 3).
Karel J. Hartlieb+3 more
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Hirshfeld surface analysis of two bendroflumethiazide solvates
Acta Crystallographica Section C Crystal Structure Communications, 2007Bendroflumethiazide, or 3-benzyl-6-(trifluoromethyl)-3,4-dihydro-2H-1,2,4-benzothiadiazine-7-sulfonamide 1,1-dioxide, is reported to crystallize as 1:1 solvates with acetone, C(15)H(14)F(3)N(3)O(4)S(2).C(3)H(6)O, and N,N-dimethylformamide, C(15)H(14)F(3)N(3)O(4)S(2).C(3)H(7)NO.
Norman Shankland+6 more
openaire +3 more sources