[PDF] Top 20 Bis(mefloquinium) butanedioate ethanol monosolvate: crystal structure and Hirshfeld surface analysis
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Bis(mefloquinium) butanedioate ethanol monosolvate: crystal structure and Hirshfeld surface analysis
... Malaria continues to be a major worldwide health issue and vast populations in tropical countries, including visitors to those regions, are susceptible to the disease, which is spread by parasites such as Plasmodium ... See full document
17
Crystal structure and Hirshfeld surface analysis of bis[hydrazinium(1+)] hexafluoridosilicate: (N2H5)2SiF6
... chemical analysis, vibrational spectroscopy and X-ray powder photography by Gantar & Rahten (1986), who determined the unit-cell parameters and the space ...single crystal structure and ... See full document
7
Crystal structure and Hirshfeld surface analysis of 3 cyanophenylboronic acid
... and crystal structures of 3-cyanophenylboronic acid, ...a Hirshfeld surface analysis was performed to visualize and quantify the intermolecular interactions in the crystal ... See full document
7
Crystal structure and Hirshfeld surface analysis of (succinato κO)[N,N,N′,N′ tetrakis(2 hydroxyethyl)ethylenediamine κ5O,N,N′,O′,O′′]nickel(II) tetrahydrate
... Hirshfeld surface analysis was used to investigate the presence of hydrogen bonds and intermolecular interactions in the crystal structure and two-dimensional fingerprint plots were ... See full document
11
Crystal structure and Hirshfeld surface analysis of pulcherrin J
... Caesalpinia pulcherrima (L.) is one of the widely cultivated species of the genus Caesalpinia. It is an ornamental plant with attractive inflorescence in yellow, red, and orange, generally blooming in winter. Its small ... See full document
11
Crystal structure, Hirshfeld surface analysis and frontier molecular orbital analysis of (E) 4 bromo N′ (2,3 dichlorobenzylidene)benzohydrazide
... the structure of DNA (Tiwari et ...the crystal structure, the Hirshfeld surface analysis and the mol- ecular orbital analysis of the title compound, (E)-4-bromo-N 0 - ... See full document
8
Racemic mefloquinium chlorodifluoroacetate: crystal structure and Hirshfeld surface analysis
... The ions comprising the asymmetric unit of (I) are shown in Fig. 1. The illustrated cation has two chiral centres, namely R at C12 and S at C13, i.e. it is the [(+)-erythro-mefloquinium] isomer. However, it should ... See full document
12
Crystal structure and Hirshfeld surface analysis of (benzenecarbothioamide κS)bromidobis(triphenylphosphane κP)silver(I)
... solve structure: SHELXT2014 (Sheldrick, 2015); program(s) used to refine structure: SHELXL2014 (Sheldrick, 2015); molecular graphics: Mercury (Macrae et ... See full document
12
m Xylylenediaminium sulfate: crystal structure and Hirshfeld surface analysis
... In the sulfate anion, the S—O bond lengths range from 1.4673 (12) to 1.4895 (11) A ˚ . Their similar values confirm the absence of a proton in this anion. It is worth noting that the S—O4 distance is the longest because ... See full document
8
Crystal Structure and Hirshfeld Surface Analysis of 4 Nitrophenyl Isocyanate
... 3D Hirshfeld surfaces and 2D fingerprint plots are unique for any crystal ...the crystal and at the same time, it can also be broken down to give the relative contribution to the Hirshfeld ... See full document
5
Crystal structure and Hirshfeld surface analysis of (E) 2 (5 bromo 2 hydroxybenzylidene)hydrazinecarbothioamide dimethyl sulfoxide monosolvate
... using Hirshfeld surface studies and two-dimensional fingerprint ...The crystal structure of the unsolvated form of the title compound has been reported previously [Kargar et ...solid-state ... See full document
9
Crystal structure and Hirshfeld surface analysis of 2,4,6,11 tetrakis(4 fluorophenyl) 9 oxa 1,5 diazatricyclo[5 3 1 03 8]undecane
... intense red spots indicate regions of donor–acceptor inter- actions (Ca´rdenas-Valenzuela et al., 2018; Atiog˘lu et al., 2018) and represent the fluorine, carbon and hydrogen atoms involved. Fig. 5 shows the ... See full document
12
Crystal structure and Hirshfeld surface analysis of (C7H9N4O2)[ZnCl3(H2O)]
... Crystal data, data collection and structure refinement details are summarized in Table 2. The H atoms were all located in a difference map, but those attached to C and N atoms were repositioned ... See full document
8
Crystal structure, Hirshfeld surface analysis and corrosion inhibition study of 3,6 bis(pyridin 2 yl) 4 {[(3aS,5S,5aR,8aR,8bS) 2,2,7,7 tetramethyltetrahydro 5H bis[1,3]dioxolo[4,5 b:4′,5′ d]pyran 5 yl)methoxy]methyl}pyridazine monohydrate
... with distances equal to the sum of van der Waals radii, while red and blue indicate distances shorter (in close contact) or longer (distinct contact) than the van der Waals radii, respectively (Venkatesan et al., 2016). ... See full document
14
Crystal structure, Hirshfeld surface analysis and HOMO–LUMO analysis of (E) N′ (3 hydroxy 4 methoxybenzylidene)nicotinohydrazide monohydrate
... In the crystal of the title compound (Fig. 2), the water mol- ecule interacts with three neighbouring nicotinohydrazide molecules with the O4 water oxygen atom acting as a hydrogen acceptor through N2—H2N O4 and ... See full document
8
Crystal structure and Hirshfeld surface analysis of diaquabis(isonicotinamide κN)bis(2,4,6 trimethylbenzoato κO1)nickel(II) dihydrate
... The crystal structures of anhydrous zinc(II) carboxylates are diverse and include one-dimensional (Guseinov et al., 1984; Clegg et al., 1986a), two-dimensional (Clegg et al., 1986b, 1987) and three-dimensional ... See full document
11
Crystal structure, Hirshfeld surface analysis and energy framework calculation of the first oxoanion salt containing 1,3 cyclohexanebis(methylammonium): [3 (azaniumylmethyl)cyclohexyl]methanaminium dinitrate
... In the crystal, the (CHMA) 2+ cations and nitrate anions are linked by N—H O hydrogen bonds into infinite layers parallel to the ac plane (Fig. 3). Each layer is formed of infinite undulating chains running ... See full document
11
Bis(4 methoxychalcone 4 ethylthiosemicarbazonato κ2N1,S)zinc(II): crystal structure and Hirshfeld surface analysis
... 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
16
Crystal structure and Hirshfeld surface analysis of 4 [4 (1H benzo[d]imidazol 2 yl)phenoxy]phthalonitrile dimethyl sulfoxide monosolvate
... 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
11
N,N′ Bis(pyridin 4 ylmethyl)oxalamide benzene monosolvate: crystal structure, Hirshfeld surface analysis and computational study
... layers parallel to (102) are generated owing the formation of amide-N— H N(pyridyl) hydrogen bonds. The layers stack encompassing benzene molecules which provide the links between layers via methylene-C— H (benzene) and ... See full document
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