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- W2936270954 abstract "The title compounds, C27H20Br2N6O4·2H2O, (I), and C30H28N6O4·[+ solvent], (II), both crystallize with one half-mol-ecule in the asymmetric unit. The whole mol-ecule of (I) is generated by twofold rotation symmetry, with the twofold rotation axis bis-ecting the C atom of the -O-CH2-O- bridge. This results in a folded or U-shaped conformation of the mol-ecule. The whole mol-ecule of (II) is generated by inversion symmetry, with the central CH2-CH2 bond of the -O-(CH2)4-O- bridge being located about a center of inversion. This results in a step-like conformation of the mol-ecule. The central C(=O)N-N=C regions of the isonicotinohydrazide moieties in both compounds are planar and the configuration about the imine C=N bonds is E. In compound (I), the benzene and pyridine rings are inclined to each other by 37.60 (6)°. The two symmetry-related pyridine rings are inclined to each other by 74.24 (6)°, and the two symmetry-related benzene rings by 7.69 (6)°. In compound (II), the benzene and pyridine rings are inclined to each other by 25.56 (11)°. The symmetry-related pyridine rings are parallel, as are the two symmetry-related benzene rings. In the crystal of (I), a pair of water mol-ecules link the organic mol-ecules via Owater-H⋯O and Owater-H⋯N hydrogen bonds, forming chains along [001], and enclosing an R42(8) and two R12(5) ring motifs. The chains are linked by N-H⋯Npyridine hydrogen bonds, forming a supra-molecular framework. There are also a number of C-H⋯O hydrogen bonds, and C-H⋯π and offset π-π inter-actions [inter-planar distance = 3.294 (1) Å] present reinforcing the framework. In the crystal of (II), mol-ecules are linked by N-H⋯Npyridine hydrogen bonds, forming a supra-molecular framework. Here too there are also a number of C-H⋯O hydrogen bonds present, and a C-H⋯π inter-action, reinforcing the framework. For compound (II), a region of disordered electron density was corrected for using the SQUEEZE [Spek (2015 ▸). Acta Cryst. C71, 9-18] routine in PLATON. Their formula mass and unit-cell characteristics were not taken into account during refinement." @default.
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- W2936270954 date "2019-04-18" @default.
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- W2936270954 title "The crystal structures and Hirshfeld surface analysis of N′,N′′′-((1E,1′E)-{[methylenebis(oxy)]bis(6-bromo-3,1-phenylene)}bis(methanylylidene))bis(isonicotinohydrazide) dihydrate and N′,N′′′-((1E,1′E)-{[butane-1,4-diylbis(oxy)]bis(2,1-phenylene)}bis(methanylylidene))bis(isonicotinohydrazide) [+ solvent]" @default.
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- W2936270954 doi "https://doi.org/10.1107/s2056989019005048" @default.
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