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Crystal structure and computational studies of (3Z)-4-benzoyl-3-[(2,4-dinitrophenyl)hydrazinylidene]-5-phenylfuran-2(3H)-one
(Int Union Crystallography, 2016)
In the molecular structure of the title compound, C23H14N4O7, the furan, dinitrophenyl and phenyl rings are almost in the same plane (r.m.s. deviation = 0.127 angstrom), with the benzoyl ring inclined by a dihedral angle ...
Crystal structure of 4-(4-chlorophenyl)-6-(morpholin-4-yl)pyridazin-3(2H)-one
(Int Union Crystallography, 2015)
In the title compound, C14H14ClN3O2, the morpholine ring adopts a chair conformation, with the exocyclic N-C bond in an equatorial orientation. The 1,6-dihydropyridazine ring is essentially planar, with a maximum deviation ...
Synthesis, Spectroscopic, Structural and Quantum Chemical Studies of a New Imine Oxime and Its Palladium(II) Complex: Hydrolysis Mechanism
(Mdpi, 2016)
In this work, we report synthesis, crystallographic, spectroscopic and quantum chemical studies of a new imine oxime, namely (4-nitro-phenyl)-(1-phenyl-ethylimino)-acetaldehyde oxime (nppeieoH). Spectroscopic and X-ray ...
Crystal structure and Hirshfeld surfaces analysis of the nickel(II) complex of the Shift base ligand 6,6 '-{(1E,1 ' E)-[ethane-1,2-diylbis(azanylylidene)]-bis(methanylylidene)}lbis[2-(trifluoromethoxy)-phenol]
(Int Union Crystallography, 2019)
In the title complex, (6,6'-{(1E.1'E)-[ethane-1,2-diylbis(azanylylidene)bis-(methanylylidene)}bis[2-(trifluoromethoxy)phenol]-kappa(4) O,N,N',O')nickel(II), [Ni(C18H12F6N2O4)], the nickel(II) ion has a square-planar ...
Crystal structure of 2-{[(5-nitrothiophen-2-yl)methylidene]amino}phenol
(Int Union Crystallography, 2015)
The title compound, C11H8N2O3S, is roughly planar; the dihedral angle between the planes of the thiophene and benzene rings is 8.38 (10)degrees. An intramolecular O-H center dot center dot center dot N hydrogen bond generates ...
Crystal structure of (E)-1(anthracen-9-ylmethylidene)[2-(morpholin-4-yl)ethyl]amine
(International Union of Crystallography, 2014)
The title compound, C21H22N2O, crystallizes with two independent molecules in the asymmetric unit. In both molecules, the anthracene ring systems are almost planar, with maximum deviations of 0.071(8) and 0.028(7)Å, and ...
Crystal structure and Hirshfeld surface analysis of N,N '-bis(3-tert-butyl-2-hydroxy-5-methylbenzylidene)ethane-1,2-diamine
(Int Union Crystallography, 2018)
The title compound, C26H36N2O2, crystallizes in the phenol-imine form. In the molecule, there are intramolecular O-H center dot center dot center dot N hydrogen bonds forming S(6) ring motifs, and the two aromatic rings ...
Crystal structure and Hirshfeld surface analysis of 3-(4-methoxyphenyl)-1-methyl-4-phenyl-1H-pyrazolo[3,4-d]pyrimidine
(Int Union Crystallography, 2019)
In the title molecule, C19H16N4O, the planar pyrazolopyrimidine moiety is inclined to the attached phenyl rings by 35.42 (4) and 54.51 (6)degrees. In the crystal, adjacent molecules are linked into chains parallel to [110] ...
Crystal structure and Hirshfeld surface analysis of 4-(4-methylbenzyl)-6-phenylpyridazin-3(2H)-one
(Int Union Crystallography, 2019)
In this paper, we describe the synthesis of a new dihydro-2H-pyridazin-3-one derivative. The molecule, C18H16N2O, is not planar; the benzene and pyridazine rings are twisted with respect to each other, making a dihedral ...
Crystal structure and Hirshfeld surface analysis of 4-[4-(1H-benzo[d]imidazol-2-yl)phenoxy]phthalonitrile dimethyl sulfoxide monosolvate
(Int Union Crystallography, 2019)
This work presents the synthesis and structural characterization of [4-(1H-benzo[d]imidazol-2-yl) phenoxy]phthalonitrile, a phthalonitrile derivative carrying a benzimidazole moiety. The compound crystallizes as its dimethyl ...
