Crystal structure and Hirshfeld surface analysis of [N(CH3)4][2,2′-Fe(1,7-closo-C2B9H11)2]
Sign Up to like & getrecommendations! Published in 2017 at "Journal of Organometallic Chemistry"
DOI: 10.1016/j.jorganchem.2017.05.047
Abstract: Abstract This work investigates the meta -ferrabis(dicarbollide) anion that was isolated as salt of tetramethylammonium. The structure of the obtained crystal consisted of discrete [2,2′-Fe(1,7- closo -C 2 B 9 H 11 ) 2 ]… read more here.
Keywords: crystal structure; hirshfeld surface; structure hirshfeld; closo ... See more keywords
Crystal structure, Hirshfeld surfaces computational study and physicochemical characterization of the hybrid material (C7H10N)2[SnCl6]·H2O
Sign Up to like & getrecommendations! Published in 2018 at "Journal of Molecular Structure"
DOI: 10.1016/j.molstruc.2017.09.098
Abstract: Abstract A novel hybrid compound, bis(4-methylanilinium)hexachlorostannate(IV) monohydrate, formulated as (C 7 H 10 N) 2 [SnCl 6 ]·H 2 O, has been prepared and characterized by powder and single crystal X-ray diffraction (XRD), Hirshfeld surface… read more here.
Keywords: crystal structure; hirshfeld surfaces; study; structure hirshfeld ... See more keywords
Crystal structure, Hirshfeld surface analysis and DFT studies of Euphorbioside monohydrate a major bisnorsesquiterpene isolated from Euphorbia resinifera latex
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DOI: 10.1016/j.molstruc.2021.130511
Abstract: Abstract The structure of this new derivative of Euphorbioside [systematic name: (1S,2R,3R,5R,8R)-8-((R,E)-3-hydroxybut-1-en-1-yl)-1,5-dimethyl-6-oxabicyclo[3.2.1]octane-2,3-diol hydrate] was determined by its single-crystal X-ray structure, and to studies with the use of NMR, LC/HRMS and IR spectra. The title compound… read more here.
Keywords: surface analysis; hirshfeld surface; structure hirshfeld; structure ... See more keywords
Crystal structure and Hirshfeld surface analysis of 1-(4-bromophenyl)-2-{[5-(pyridin-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}ethan-1-one
Sign Up to like & getrecommendations! Published in 2017 at "Acta Crystallographica Section E: Crystallographic Communications"
DOI: 10.1107/s2056989017004819
Abstract: In the crystal, the molecules are linked into [100] chains by way of C—H⋯O, C—H⋯N, C—H⋯S hydrogen bonds. The Hirshfeld surface analysis indicates that the most important contributions to the packing are H⋯H (19.5%), N⋯H… read more here.
Keywords: crystal structure; hirshfeld surface; structure hirshfeld; analysis bromophenyl ... See more keywords
Crystal structure and Hirshfeld analysis of 2-(5-bromothiophen-2-yl)acetonitrile
Sign Up to like & getrecommendations! Published in 2018 at "Acta Crystallographica Section E: Crystallographic Communications"
DOI: 10.1107/s2056989018000968
Abstract: The crystal structure of 2-(5-bromothiophen-2-yl)acetonitrile, previously reported as a liquid, has short centrosymmetric Type I Br⋯Br halogen interactions. read more here.
Keywords: crystal structure; hirshfeld analysis; bromothiophen acetonitrile; structure hirshfeld ... See more keywords
Crystal structure and Hirshfeld surface analysis of bis(2,6-diaminopyridinium) tetrachloridocobaltate(II)
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DOI: 10.1107/s2056989018003171
Abstract: The crystal structure of the title molecular salt features N—H⋯Cl and C—H⋯Cl hydrogen bonds and π–π interactions; Hirshfeld surface analysis and fingerprint plots are reported. read more here.
Keywords: crystal structure; hirshfeld surface; surface analysis; structure hirshfeld ... See more keywords
Crystal structure and Hirshfeld surface analysis of 1-(2,4-dichlorobenzyl)-5-methyl-N-(thiophene-2-sulfonyl)-1H-pyrazole-3-carboxamide
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DOI: 10.1107/s2056989018006242
Abstract: In the crystal, pairs of molecules are linked by N—H⋯O and C—H⋯O hydrogen bonds, forming inversion dimers with graph-set notation (8) and (11), which are connected by C—H⋯O hydrogen-bonding interactions into ribbons parallel to (100).… read more here.
Keywords: analysis dichlorobenzyl; crystal structure; hirshfeld surface; structure hirshfeld ... See more keywords
Crystal structure and Hirshfeld surface analysis of 3-octyl-4-oxo-2,6-bis(3,4,5-trimethoxyphenyl)piperidinium chloride
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DOI: 10.1107/s2056989018008125
Abstract: The title compound was synthesized by a one-pot Mannich condensation reaction. In the crystal, centrosymmetric dimers are linked into layers parallel to (011) by N—H⋯Cl and C—H⋯Cl hydrogen bonds. A Hirshfeld surface analysis indicates that… read more here.
Keywords: crystal structure; hirshfeld surface; analysis octyl; structure hirshfeld ... See more keywords
Crystal structure and Hirshfeld surface analysis of 3,3′,3′′-[(1,3,5-triazine-2,4,6-triyl)tris(oxy)]tris(5,5-dimethylcyclohex-2-en-1-one)
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DOI: 10.1107/s2056989018009003
Abstract: The three cyclohexenone rings of the title compound adopt slightly distorted envelope conformations, with the C atom bearing two methyl groups as the flap atom in each case. In the crystal, molecules are linked via… read more here.
Keywords: crystal structure; hirshfeld surface; tris; structure hirshfeld ... See more keywords
Crystal structure and Hirshfeld surface analysis of (E)-1-[(4,7-dimethylquinolin-2-yl)methylidene]semicarbazide dihydrate
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DOI: 10.1107/s2056989018014925
Abstract: The semicarbazone derivative molecule is almost planar. In the crystal, the molecules are linked by O—H⋯O, N—H⋯O and O—H⋯N hydrogen bonds. read more here.
Keywords: crystal structure; hirshfeld surface; structure hirshfeld; dimethylquinolin methylidene ... See more keywords
Crystal structure and Hirshfeld surface analysis of a new benzodiazepine derivative: 4-dichloromethyl-2,3-dihydro-1H-1,5-benzodiazepin-2-one
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DOI: 10.1107/s205698901801681x
Abstract: In the title compound, the seven-membered diazepine ring adopts a boat-shaped conformation. In the crystal, molecules are linked by pairs of N—H⋯O hydrogen bonds, forming inversion dimers with an (8) ring motif. read more here.
Keywords: surface analysis; hirshfeld surface; new benzodiazepine; structure hirshfeld ... See more keywords