Results 11 to 20 of about 6,682,702 (328)
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 +2 more
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Hirshfeld surfaces from experimental charge-density data [PDF]
Acta Crystallographica Section A Foundations of Crystallography, 2010 Radosław Kamiński +2 more
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Crystal structure and Hirshfeld-surface analysis of the pesticide etoxazole. [PDF]
Acta Crystallogr E Crystallogr CommunEtoxazole (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 +3 more
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Crystal structure and Hirshfeld surface analysis of the fungicide metconazole. [PDF]
Acta Crystallogr E Crystallogr CommunMetconazole 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-(1H-1,2,4-triazol-1-ylmethyl)cyclopentan-1-ol ...
Mohan Kumar TM +3 more
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Crystal structure and Hirshfeld surface analysis of ketorolac tromethamine. [PDF]
Acta Crystallogr E Crystallogr CommunKetorolac tromethamine or 1,3-dihydroxy-2-(hydroxymethyl)propan-2-aminium 5-benzoyl-2,3-dihydro-1H-pyrrolizine-1-carboxylate, C15H12NO3 +·C4H12NO3 −, was studied by single-crystal and powder X-ray diffraction methods. One cation and one anion are present in the asymmetric unit.
Shaposhnyk AM, Rudiuk VV, Baumer VN.
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Applications of Hirshfeld surface analysis in crystal engineering and drug design [PDF]
Acta Crystallographica Section A Foundations and Advances, 2015 Simon Grabowsky
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Journal of Applied Crystallography, 2021 CrystalExplorer is a native cross-platform program for the visualization and investigation of molecular crystal structures.
Peter R. Spackman +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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Acta Crystallographica Section E: Crystallographic Communications, 2023 The molecular and crystal structures of the title compound, [Cu2I2(C18H12N2)2], were examined by single-crystal X-ray diffraction and Hirshfeld surface analysis.
Ayalew W. Temesgen +4 more
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Crystal structure and Hirshfeld surface analysis of 1,3-diethynyladamantane [PDF]
Acta Crystallographica Section E Crystallographic Communications, 2020 The title compound, C14H16, exhibits exceptionally weak intermolecular C—H...π hydrogen bonding of the ethynyl groups, with the corresponding H...π separations [2.91 (2) and 3.12 (2) Å] exceeding normal vdW distances. This bonding complements distal contacts of the CH (aliphatic)...π type [H...π = 3.12 (2)–3.14 (2) Å] to sustain supramolecular layers ...
Kostiantyn V. Domasevitch +1 more
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