Results 1 to 10 of about 6,148 (200)

Polymorphism and Hirshfeld surface analysis of tetra-oxa[2]perfluoro-arene[2]triazine. [PDF]

Acta Crystallogr E Crystallogr Commun
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 ...
Kawasaki T, Hori A.
europepmc   +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-thia-diazol-2-amine. [PDF]

Acta Crystallogr E Crystallogr Commun
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 ...
Torambetov B, Djiemuratov M, Rasulov A, Akkurt M, Manahelohe GM, Hasanov KI, Jamalov PJ.   +6 more
europepmc   +2 more sources

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 (C21H23F2NO2), systematic name 4-(4-tert-butyl-2-ethoxyphenyl)-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole, is a fluorinated insecticide and acaricide that inhibits chitin biosynthesis, disrupting insect development by preventing proper exoskeleton formation.
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, C21H25F2NO3}, is presented. The molecular structure has a central N-(2-hydroxyethyl)formamide group flanked by 4-tert-butyl-2-ethoxyphenyl and 2,6-difluorophenyl-substituted rings.
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