Results 1 to 10 of about 25,512,948 (240)
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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Polymorphism and Hirshfeld surface analysis of tetraoxa[2]perfluoroarene[2]triazine [PDF]
Acta Crystallographica Section E: Crystallographic CommunicationsThe title compound, tetraoxa[2]perfluoroarene[2]triazine (C20H6F8N6O6), composed of two tetrafluorophenylene and two triazine moieties connected by four oxygen atoms, was crystallized via slow evaporation of a dichloromethane solution, yielding two ...
Tadashi Kawasaki, Akiko Hori
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Acta Crystallographica Section E: Crystallographic Communications, 2022 The molecular and crystal structures of the title compound, C8H4F5NO, were examined by single-crystal X-ray diffraction and Hirshfeld surface analysis. The title compound was synthesized by a new method at the interface of aqueous solutions of LiOH and ...
Anton P. Novikov +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 Acetoacetanilide Based Reaction Products [PDF]
Molecules, 2020 We report an unprecedented multicomponent reaction of acetoacetanilide with malononitrile leading to a structurally novel bicyclic product (9) in a high yield. The structure has been confirmed by X-ray crystallography and comparative Hirshfeld surface analysis of 5-cyano-2-hydroxy-2-methyl-N-phenyl-4-(yridine-4-yl)-6-(thiophen-2-yl)-3,4-dihydro-2H ...
Rizvan Askerov +2 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 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 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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Data in Brief, 2021 This article reports the single-crystal X-ray diffraction dataset of some isobutyl-1,2,6-triaryl-4-(arylamino)-1,2,5,6-tetrahydropyridine-3-carboxylate (1-3) derivatives with Hirshfeld surface analysis.
Chandran Udhaya Kumar +6 more
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Crystal structure and Hirshfeld surface analysis of a pyrrolo-thiazine complex [PDF]
Acta Crystallographica Section E Crystallographic Communications, 2021 In the title compound, diethyl 2,2-dioxo-4-(thiophen-2-yl)-1-[(thiophen-2-yl)methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]thiazine-1,3-dicarboxylate, C22H28NO6S3, the pyrrolo ring is in an envelope conformation while the thiazine ring adopts a near chair conformation.
R. Sribala +4 more
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