[PDF] Top 20 Crystal structure and Hirshfeld surface analysis and energy frameworks of 1 (2,4 di­methyl­phen­yl) 4 (4 meth­­oxy­phen­yl)naphthalene

... Using Hirshfeld surface and two-dimensional fingerprint plots, the presence of short inter- molecular interactions in the crystal structure were ...the crystal structure was ... See full document

... surface indicates contacts with distances equal to the sum of the van der Waals radii, and the red and blue colours indicate distances shorter (in close contact) or longer (distinct contact) than the van der Waals ... See full document

... The crystal structure features O—H O and C—H O hydrogen bonds (Table 1; ...the crystal, the A and B molecules are linked by O—H O hydrogen bonds, forming chains running along the c-axis ... See full document

... Hirshfeld surface. H H/H H interactions, contributing 28.7% to the overall crystal packing, are some of the important interactions, and are shown in ... See full document

... To a solution of 3-methyl-1-(prop-2-ynyl)-3,4-dihydroquinox- alin-2(1H)-one (0.65 mmol) in ethanol (20 mL) was added ethyl azidoacetate (1.04 mmol). The mixture was stirred under reflux for 24 ... See full document

... Given their importance in the pharmaceutical, chemical and industrial fields, the synthesis of 3,6-di(pyridin-2-yl)pyridazine and its derivatives has been a goal of chemists in recent years. ... See full document

... acetophenone (232 mg, 1 mmol) was then added slowly into the mixture and refluxed, while progress of the reaction was monitored by TLC. After completion of the reaction, the precipitate was filtered and washed ... See full document

... Geometry . All esds (except the esd in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell esds are taken into account individually in the estimation of esds in distances, ... See full document

... molecular structure of (I), Fig. 1, comprises a central oxopyridazinyl ring connected to an ethylacetate group at the N1 atom, a methyl group at the C2 position and a benzyl residue at the C3 ... See full document

... In the crystal, the bromide anion is linked to the cation via an N2—H2N2 Br1 hydrogen bond (Table 1). The bromide anion is surrounded by three other cations with short H Br contracts varying from 2.52 to ... See full document

... mg, 1 mmol) and triethyl amine ...added 2 4-dibromaceto- phenone (278 mg, 1 ...After 2 h, the precipitate that had formed was separated, washed with ethanol and recrystallized from ... See full document

... Geometry . All esds (except the esd in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell esds are taken into account individually in the estimation of esds in distances, ... See full document

... Geometry . All esds (except the esd in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell esds are taken into account individually in the estimation of esds in distances, ... See full document

... Geometry . All esds (except the esd in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell esds are taken into account individually in the estimation of esds in distances, ... See full document

... There are four closely related compounds in the literature whereby the cyano group of (I) is replaced by chloride and bromide, which are isostructural (Zeghada et al., 2011), methyl (El-Hiti et al., 2017) and ... See full document

... The title compound was prepared by adding n-butyllithium (4.91 ml, 12.29 mmol, 2.5 M in cyclohexane) to a solution of 2-picoline (1 ml, 10.24 mmol) in anhydrous THF (25 ml) cooled at 195 K. The orange ... See full document

... fingerprint plot (Fig. 6a) and those delineated into H H, H O/O H, H C/C H, C C and O C/C O contacts (McKinnon et al., 2007) are illustrated in Figs. 6(b)– (f), respectively, together with their relative contributions to ... See full document

... the crystal of the title compound, the shortest inter- molecular contact is C15–H15B O2, which join the mol- ecules into infinite chains with graph-set motif C(6) (Etter et ...(Table 1, ... See full document

... The Hirshfeld surface calculations were performed according to recent work on a related organic molecule (Tan et ...the structure of (I) are viewed as bright-red spots near the respective donor and ... See full document

... Crystal data, data collection and structure refinement details are summarized in Table 3. The O- and N-bound H atoms H2, H14, H21, H22A and H22B were found in difference electron density maps and refined ... See full document