X-ray structure, hirshfeld surfaces and interaction energy studies of 2,2-diphenyl-1-oxa-3-oxonia-2-boratanaphthalene [PDF]
Heliyon, 2022 Single crystal XRD structure of the title compound reveals that the molecule adopt non-planar structure. The molecule is puckered with the total puckering amplitude of (Q) = 0.368(3)Å.
N.R. Sreenatha +4 more
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Crystal structures and Hirshfeld surfaces of two 1,3-benzoxathiol-2-one derivatives [PDF]
Acta Crystallographica Section E: Crystallographic Communications, 2018 The crystal structures of 6-methoxy-1,3-benzoxathiol-2-one, C9H8O3S, (I), and 2-oxo-1,3-benzoxathiol-6-yl acetate, C9H6O4S, (II), are described. Compound (I) is almost planar (r.m.s.
Eliza de L. Chazin +5 more
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Synthesis, crystal structure, spectroscopic features and Hirshfeld surfaces of 2-methyl-3-[(2-methylphenyl)carbamoyl]phenyl acetate [PDF]
Acta Crystallographica Section E: Crystallographic Communications, 2019 The title compound, C17H17NO3, was synthesized, characterized by IR spectroscopy and its crystal structure was determined from single-crystal diffraction data. The asymmetric unit contains two molecules, which adopt different conformations.
Mavişe Yaman +5 more
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Crystal structures and Hirshfeld surface analyses of (N-hexyl-N-methyldithiocarbamato-κ2S,S′)triphenyltin(IV) and [N-methyl-N-(2-phenylethyl)dithiocarbamato-κ2S,S′]triphenyltin(IV) [PDF]
Acta Crystallographica Section E: Crystallographic Communications, 2018 The crystal and molecular structures of two triphenyltin dithiocarbamate compounds, viz. [Sn(C6H5)3(C8H16NS2)], (I), and [Sn(C6H5)3(C10H12NS2)], (II), are described.
Rapidah Mohamad +4 more
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A 2:1 co-crystal ofp-nitrobenzoic acid andN,N′-bis(pyridin-3-ylmethyl)ethanediamide: crystal structure and Hirshfeld surface analysis [PDF]
, 2016 The title 2:1 co-crystal, 2C7H5NO4·C14H14N4O2, in which the complete diamide molecule is generated by crystallographic inversion symmetry, features a three-molecule aggregate sustained by hydroxyl-O—H...N(pyridyl) hydrogen bonds.
Jotani, Mukesh M. +3 more
core +22 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 +2 more
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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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Acta Crystallographica Section E: Crystallographic Communications, 2022 The hemihydrate of 4-[(benzylamino)carbonyl]-1-methylpyridinium bromide, C14H15N2O+·Br−·0.5H2O, was studied by single-crystal and powder X-ray diffraction methods.
Vitalii V. Rudiuk +4 more
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Inorganics, 2023 A new polymorph of the ruthenium(II) diclofenac complex with formula [Ru(p-cymene)(diclo)Cl] was synthesized, and its crystal structure was solved by single crystal X-ray diffraction.
Martin Schoeller +4 more
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X-ray, Hirshfeld surface analysis, spectroscopic and DFT studies of polycyclic aromatic hydrocarbons: Fluoranthene and acenaphthene [PDF]
Journal of the Serbian Chemical Society, 2015 The X-ray structure, theoretical calculation, Hirshfeld surfaces analysis, IR and Raman spectra of fluoranthene and acenaphthene were reported. Acenaphthene crystallizes in the orthorhombic crystal system and space group P21ma, with crystal ...
Śmiszek-Lindert Wioleta +5 more
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