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Polymorphism and Hirshfeld surface analysis of tetraoxa[2]perfluoroarene[2]triazine [PDF]

Acta Crystallographica Section E: Crystallographic Communications
The 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
doaj   +4 more sources

Crystal structure and Hirshfeld surface analysis of saflufenacil. [PDF]

Acta Crystallogr E Crystallogr Commun
The 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.
europepmc   +2 more sources

Crystal structure and Hirshfeld surfaces analysis of Heterocyclic-and circulenes [PDF]

MATEC Web of Conferences, 2022
The crystal structure of the new diazatrioxa[9]circulene and tetrahydro-diazatetraoxa[10]circulene which represent the first synthesized representatives of “higher” hetero[n]circulenes with n>8, was analyzed in details.
Karaush-Karmazin Nataliya, Baryshnikov Glib, Minaev Boris   +2 more
doaj   +2 more sources

Crystal structure and Hirshfeld surface analysis of 5-bromo-1,3,4-thiadiazol-2-amine [PDF]

Acta Crystallographica Section E: Crystallographic Communications
In the crystal of the title compound, C2H2BrN3S, N—H...N hydrogen bonds connect the molecules in the form of hydrogen-bonded double-layered ribbons along the c-axis direction including R22(8) and R21(3) motifs, which extend to double layers in the bc ...
Batirbay Torambetov, Miyribek Djiemuratov, Abdusamat Rasulov, Mehmet Akkurt, Gizachew Mulugeta Manahelohe, Khudayar I. Hasanov, Punhan J. Jamalov   +6 more
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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, Jonathan Cisterna, Ivan Brito   +2 more
exaly   +4 more sources

Crystal structure and Hirshfeld surface analysis of ketorolac tromethamine. [PDF]

Acta Crystallogr E Crystallogr Commun
Ketorolac 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
Shaposhnyk AM, Rudiuk VV, Baumer VN.
europepmc   +4 more sources

Crystal structure and Hirshfeld surface analysis of the fungicide metconazole. [PDF]

Acta Crystallogr E Crystallogr Commun
Metconazole 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
Mohan Kumar TM, Sowbhagya C, Yathirajan HS, Parkin S.   +3 more
europepmc   +4 more sources

Crystal structure and Hirshfeld-surface analysis of the pesticide etoxazole. [PDF]

Acta Crystallogr E Crystallogr Commun
Etoxazole (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
Sowbhagya C, Mohan Kumar TM, Yathirajan HS, Parkin S.   +3 more
europepmc   +4 more sources

Crystal structure and Hirshfeld surface analysis of an etoxazole metabolite designated R4. [PDF]

Acta Crystallogr E Crystallogr Commun
A 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
Sowbhagya C, Mohan Kumar TM, Bhavya P, Yathirajan HS, Parkin S.   +4 more
europepmc   +3 more sources

Single crystal X-ray structural and Hirshfeld surface analysis dataset for some isobutyl-1,2,6-triaryl-4-(arylamino)-1,2,5,6-tetrahydropyridine-3-carboxylates

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, Poyyamozhi Surendar Anand, Annamalai Sethukumar, Kuppusamy Krishnasamy, Sivakolunthu Senthan, Govindhasamy Manikandan, Balasubramaniam Arul Prakasam   +6 more
doaj   +1 more source