Crystal structure and Hirshfeld surface analysis of 3-cyanophenylboronic acid [PDF]
Acta Crystallographica Section E Crystallographic Communications, 2018 In the title compound, C7H6BNO2, the mean plane of the –B(OH)2 group is twisted by 21.28 (6)° relative to the cyanophenyl ring mean plane. In the crystal, molecules are linked by O—H...O and O—H...N hydrogen bonds, forming chains propagating along the [101] direction.
A. Jaquelin Cárdenas-Valenzuela +5 more
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m-Xylylenediaminium sulfate: crystal structure and Hirshfeld surface analysis [PDF]
Acta Crystallographica Section E Crystallographic Communications, 2016 The crystal structure of the title salt {systematic name: [1,3-phenylenebis(methylene)]bis(azanium) sulfate}, C8H14N22+·SO42−, consists of infinite (100) sheets of alternating organic and inorganic entities Them-xylylenediaminium cations are linked to the sulfate anions by N—H...O and asymmetric bifurcated N—H...(O,O) hydrogen bonds, generating a three-
Afef Guesmi +3 more
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Crystal structure and Hirshfeld surface analysis of saflufenacil [PDF]
Acta Crystallographica Section E Crystallographic CommunicationsThe crystal structure of saflufenacil or 2-chloro-4-fluoro- N -( N -isopropyl- N -methylsulfamoyl)-5-[3-methyl-2,6-dioxo-4-(trifluoromethyl)-1,2,3,6-tetrahydropyrimidin-1-yl]benzamide, C 17
Liu J.
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Crystal structure and Hirshfeld surface analysis of 2-picolyllithium·3thf
Acta Crystallographica Section E Crystallographic CommunicationsIn the title compound, (2-methylidene-1,2-dihydropyridinium-κN)tris(tetrahydrofuran-κO)lithium, [Li(C6H6N)(C4H8O)3], the lithium ion adopts a distorted LiNO3 tetrahedral coordination geometry and the 2-picolyl anion adopts its enamido form with the lithium ion lying close to the plane of the pyridine ring. A methylene group of one of the thf ligands is
Tristan Mairath +2 more
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Crystal structure and Hirshfeld surface analysis of the fungicide metconazole [PDF]
Acta Crystallographica Section E Crystallographic CommunicationsMetconazole is a systemic triazole fungicide that inhibits the ergosterol biosynthesis pathway. It is widely used in agriculture to control fungal infections, including rusts, fusarium and septoria diseases. The molecular structure is a three-ring system, namely, 5-(4-chlorobenzyl)-2,2-dimethyl-1-(1 H
Thaluru M. Mohan Kumar +3 more
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Crystal structure and Hirshfeld surface analysis of ketorolac tromethamine [PDF]
Acta Crystallographica Section E Crystallographic CommunicationsKetorolac tromethamine or 1,3-dihydroxy-2-(hydroxymethyl)propan-2-aminium 5-benzoyl-2,3-dihydro-1 H -pyrrolizine-1-carboxylate, C 15 H 12 NO 3 + ·C
Anna M. Shaposhnyk +2 more
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Crystal structure and Hirshfeld-surface analysis of the pesticide etoxazole [PDF]
Acta Crystallographica Section E Crystallographic CommunicationsEtoxazole (C 21 H 23 F 2 NO 2 ), systematic name 4-(4- tert -butyl-2-ethoxyphenyl)-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole, is
Chaluvarangaiah Sowbhagya +3 more
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Crystal structure and Hirshfeld surface analysis of luteolin dimethyl sulfoxide monosolvate [PDF]
Acta Crystallographica Section E Crystallographic CommunicationsThe title compound, 3′,4′,5,7-tetrahydroxyflavone dimethyl sulfoxide monosolvate (LUT-DMSO), C 2 H 6 OS·C 15 H 10 O 6 , crystallizes ...
Xu J.
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Crystal structure and Hirshfeld surface analysis of an etoxazole metabolite designated R4 [PDF]
Acta Crystallographica Section E Crystallographic CommunicationsA metabolite of the insecticide/acaricide etoxazole, designated R4 {systematic name N -[1-(4- tert -butyl-2-ethoxyphenyl)-2-hydroxyethyl]-2,6-difluorobenzamide, C 21 H
Chaluvarangaiah Sowbhagya +4 more
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Hydrogen bonding framework in imidazole derivatives: Crystal structure and Hirshfeld surface analysis [PDF]
, 2020 A series of imidazole derivatives (1-3) were synthesized with three component reaction among benzil, ammonium acetate and formaldehyde/aromatic aldehyde at 110 °C without a catalyst and solvent.
Tewari, Ashish Kumar +2 more
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