[PDF] Top 20 Crystal structure and Hirshfeld surface analysis of tris(2,2′ bipyridine)nickel(II) bis(1,1,3,3 tetracyano 2 ethoxypropenide) dihydrate
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Crystal structure and Hirshfeld surface analysis of tris(2,2′ bipyridine)nickel(II) bis(1,1,3,3 tetracyano 2 ethoxypropenide) dihydrate
... The other significantly over-represented contacts are the strong hydrogen bonds N H—O (E = 2.5) between the water molecule and two nitrile groups. These are the hydrogen bonds with shortest distance d(N5 H25) = 2.11 A ˚ ... See full document
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Crystal structure and Hirshfeld surface analysis of 2 (1H indol 3 yl)ethanaminium acetate hemihydrate
... acids. There are seven known families of serotonin receptors which are tryptamine derivatives, and all of them are neuro- transmitters. Hallucinogens all have a high affinity for certain serotonin receptor subtypes and ... See full document
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Supramolecular patterns and Hirshfeld surface analysis in the crystal structure of bis(2 amino 4 methoxy 6 methylpyrimidinium) isophthalate
... Pyrimidine and aminopyrimidine derivatives have useful applications in many fields, for example as pesticides and pharmaceutical agents (Condon et al., 1993), while imazo- sulfuron, ethirmol and mepanipyrim have been ... See full document
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Crystal structure and Hirshfeld surface analysis of a copper(II) complex with ethylenediamine and non coordinated benzoate
... single crystal structure determination and Hirshfeld surface analysis of a copper(II) complex containing ethylenediamine and ... See full document
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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
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Crystal structure and Hirshfeld surface analysis of N,N′ bis(2 nitrophenyl)glutaramide
... the crystal structure were investigated using Hirshfeld surface analysis and two-dimen- sional fingerprint plots, generated using CrystalExplorer ...the Hirshfeld surface ... See full document
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Crystal structure and Hirshfeld surface analysis of 3,6 bis(pyrimidin 2 yl) 1,4 dihydro 1,2,4,5 tetrazine dihydrate
... the crystal, N—H O, N—H N, O—H O hydrogen bonds and aromatic – stacking interactions link the components into a three-dimensional supramolecular ...network. Hirshfeld surface analysis was used ... See full document
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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
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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
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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
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Hirshfeld surface analysis and crystal structure of N (2 methoxyphenyl)acetamide
... reaction of (4-{2-benzyloxy-5-[(E)-(3-chloro-4-methylphenyl)diazenyl]benzyl- idene}-2-phenyloxazol-5(4H)-one) with 2-methoxyaniline in the presence of acetic acid as solvent. The amide group is not coplanar with the ... See full document
8
A triclinic polymorph of tricyclohexylphosphane sulfide: crystal structure and Hirshfeld surface analysis
... metric distribution of points in the fingerprint plot delineated into S H/H S contacts for (II) in Fig. 8c is the result of the orientation of the cyclohexane rings with respect to the crys- tallographic mirror plane. ... See full document
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Crystal structure, Hirshfeld surface analysis and HOMO–LUMO analysis of (E) 4 bromo N′ (4 methoxybenzylidene)benzohydrazide
... (6) graph-set motif. The chains are further linked into a three- dimensional network by C—H interactions. A Hirshfeld surface analysis indicates that the most important contributions to the ... See full document
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Crystal structure and Hirshfeld surface analysis of 2 aminopyridinium hydrogen phthalate
... The two-dimensional fingerprint plots for the title salt, the cation and the anion are given in Fig. 5. The relative percen- tage contributions of close contacts to the Hirshfeld surfaces of the title salt (Fig. ... See full document
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Crystal structure and Hirshfeld surface analysis of diaquabis(isonicotinamide κN)bis(2,4,6 trimethylbenzoato κO1)nickel(II) dihydrate
... The crystal structure of NA was first determined in 1954 (Wright & King, ...the crystal structures of metal complexes with benzoic acid derivatives, which are of interest because of the number of ... See full document
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Crystal structure, Hirshfeld surface analysis and energy framework calculation of the first oxoanion salt containing 1,3 cyclohexanebis(methylammonium): [3 (azaniumylmethyl)cyclohexyl]methanaminium dinitrate
... therefore the O O contacts are electrostatically repulsive. Fig. 9 shows the voids (Wolff et al., 2012) in the crystal structure of (I). These are based on the sum of spherical atomic electron densities at ... See full document
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Crystal structure, Hirshfeld surface analysis and HOMO–LUMO analysis of (E) N′ (3 hydroxy 4 methoxybenzylidene)nicotinohydrazide monohydrate
... 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
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Crystal structure and Hirshfeld surface analysis of 1,2,4 triazolium hydrogen oxalate
... the crystal, the hydrogen oxalate anions are linked by O— H O hydrogen bonds into chains running parallel to ...network. Hirshfeld surface analysis of the title salt suggests that the most ... See full document
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Crystal structure and Hirshfeld surface analysis of 2,5 dibromoterephthalic acid ethylene glycol monosolvate
... Crystal data, data collection and structure refinement details are summarized in Table 2. The carbon-bound H atoms were placed in geometrically calculated positions and refined as riding with C—H = 0.93 A ˚ ... See full document
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Synthesis, crystal structure and Hirshfeld surface analysis of tetraaquabis(isonicotinamide κN1)cobalt(II) succinate
... The fingerprint plot for the title complex is presented in Fig. 5. The contribution from the O H/H O contacts, corresponding to C—H O, N—H O and O—H O interactions, is represented by a pair of sharp spikes char- ... See full document
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