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Crystal structure and Hirshfeld surface analysis of N,N '-[ethane-1,2-diylbis(oxy)]bis(4-methymenzene-sulfonamide)
(Int Union Crystallography, 2019)
In the molecule of the title compound, C16H20N2O6S2, the mid-point of the C-C bond of the central ethane moiety is located on a twofold rotation axis. In the crystal, molecules are linked by N-H center dot center dot center ...
Crystal structure and DFT computational studies of (E)-2,4-di-tert-butyl-6-{[3-(trifluoromethyl)benzyl]-iminomethyl}phenol
(Int Union Crystallography, 2020)
The title compound, C23H28F3NO, is an ortho-hydroxy Schiff base compound, which adopts the enol-imine tautomeric form in the solid state. The molecular structure is not planar and the dihedral angle between the planes of ...
Crystal structure and Hirshfeld surface analysis of 2-phenyl-1H-phenanthro[9,10-d]imidazol-3-ium benzoate
(Int Union Crystallography, 2020)
In the title compound, C21H15N2+center dot C7H5O2-, 2-phenyl-1H-phenanthro[9,10-d]imidazole and benzoic acid form an ion pair complex. The system is consolidated by hydrogen bonds along with pi-pi interactions and N-H ...
Crystal structure and Hirshfeld surface analysis of 4-[4-(1H-benzo[d] imidazol-2-yl)phenoxy]phthalo-nitrile monohydrate
(Int Union Crystallography, 2018)
In the title compound, C21H12N4O center dot H2O, the five-membered ring is essentially planar with a maximum deviation of 0.004 (2) angstrom. An N-H center dot center dot center dot O hydrogen bond connects the organic and ...
Synthesis, crystal structure and Hirshfeld surface analysis of tetraaquabis(isonicotinamide-kappa N-1)-cobalt(II) fumarate
(Int Union Crystallography, 2018)
The reaction of cobalt(II) with fumaric acid (H(2)fum) and isonicotinamide in a basic solution produces the title salt, [Co(C6H6N2O)(2)(H2O)(4)](C4H2O4). In the complex cation, the Co II atom, located on an inversion centre, ...
Crystal structure and Hirshfeld surface analysis of a zinc xanthate complex containing the 2,2 '-bipyriaine ligand
(Int Union Crystallography, 2019)
In the title compound, (2,2'-bipyridine-kappa N-2,N')bis(2-methoxyethyl xanthato-kappa S)zinc(II), [Zn(C4H7O2S2)(2) (C10H8N2)], the Zn-II ion is coordinated to two N atoms of the 2,2'-bipyridine ligand and two S atoms from ...
Crystal structure and Hirshfeld surface analysis of (E)-1-[(4,7-dimethylquinolin-2-yl)methylidene]semicarbazide dihydrate
(Int Union Crystallography, 2018)
In the title compound, C13H14N4O center dot 2H(2)O, the organic molecule is almost planar. In the crystal, the molecules are linked by O-H center dot center dot center dot O, N-H center dot center dot center dot O and O-H ...
Crystal structure of 4-[(E)-(4-nitrobenzylidene)amino]phenol
(Int Union Crystallography, 2015)
The asymmetric unit of the title compound, C13H10N2O3, contains four independent molecules (I, II, III and IV). Molecule IV shows whole-molecule disorder over two sets of adjacent sites in a 0.669 (10):0.331 (10) ratio. ...
Crystal structure of 2-{[2-methoxy-5-(trifluoromethyl)phenyl]iminomethyl}-4-nitrophenol
(Int Union Crystallography, 2015)
In the title compound, C15H11F3N2O4, the N=C bond of the central imine group adopts an E conformation. The dihedral angle between two benzene rings is 6.2 (2)degrees. There is an intramolecular bifurcated O-H center dot ...
Crystal structure of 2-ethyl-4-methyl-1-(2-oxido-3,4-dioxocyclobut-1-en-1-yl)-1H-imidazol-3-ium
(Int Union Crystallography, 2016)
In the title inner salt molecule, C10H10N2O3, the four-membered cyclobutene ring is twisted by 7.1 (2)degrees with respect to the five-membered imidazole ring. The crystal packing exhibits an R-2(2)(9) hydrogen-bonding ...
