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[PDF] Top 20 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

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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

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 2 (1H indol 3 yl)ethanaminium acetate hemihydrate

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

17

Crystal structure and Hirshfeld surface analysis of new polymorph of racemic 2 phenyl­butyramide

Crystal structure and Hirshfeld surface analysis of new polymorph of racemic 2 phenyl­butyramide

... in structure to the original form I (Wheatley, 1964) and was widely discussed (Bond et ...diffraction analysis and crystal structure prediction algorithms (Shtukenberg et ...three ... See full document

8

Crystal structure and Hirshfeld surface analysis of N,N′ bis­­(2 nitro­phen­yl)glutaramide

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

13

Crystal structure and Hirshfeld surface analysis of a copper(II) complex with ethyl­enedi­amine and non coordinated benzoate

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

20

Supra­molecular patterns and Hirshfeld surface analysis in the crystal structure of bis­­(2 amino 4 meth­­oxy 6 methyl­pyrimidinium) isophthalate

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

10

Crystal structure and Hirshfeld surface analysis of 3 cyano­phenyl­boronic acid

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 pulcherrin J

Crystal structure and Hirshfeld surface analysis of pulcherrin J

... The crystal structure of pulcherrin J shows it to be composed of a central core of three trans-fused cyclohexane rings and a near planar five-membered furan ring, along with an axially oriented cinnamate ... See full document

11

Crystal structure, Hirshfeld surface analysis and frontier mol­ecular orbital analysis of (E) 4 bromo N′ (2,3 di­chloro­benzyl­­idene)benzohydrazide

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

Crystal structure and Hirshfeld surface analysis of 3,6 bis­­(pyrimidin 2 yl) 1,4 di­hydro 1,2,4,5 tetra­zine dihydrate

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

7

Crystal structure and Hirshfeld surface analysis of a pyridiniminium bromide salt: 1 [2 ([1,1′ biphen­yl] 4 yl) 2 oxoeth­yl] 3 methyl 1,4 di­hydro­pyridin 4 iminium bromide

Crystal structure and Hirshfeld surface analysis of a pyridiniminium bromide salt: 1 [2 ([1,1′ biphen­yl] 4 yl) 2 oxoeth­yl] 3 methyl 1,4 di­hydro­pyridin 4 iminium bromide

... 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 2.88 A ˚ ... See full document

10

Crystal structure and Hirshfeld surface analysis of 2,5 di­bromo­terephthalic acid ethyl­ene glycol monosolvate

Crystal structure and Hirshfeld surface analysis of 2,5 di­bromo­terephthalic acid ethyl­ene glycol monosolvate

... Analysis of the two-dimensional fingerprint plots reveals that the H O/O H (28.8%) contacts are the dominant contri- butors to the Hirshfeld surface. The contribution of the Br H/H Br contacts is ... See full document

7

Crystal structure determination, Hirshfeld surface analysis and energy frameworks of 6 phenyl­sulfonyl 6H thieno[3,2 c]carbazole

Crystal structure determination, Hirshfeld surface analysis and energy frameworks of 6 phenyl­sulfonyl 6H thieno[3,2 c]carbazole

... The molecular structure of the title compound is illustrated in Fig.1. The title compound comprises a carbazole ring system, which is attached to a phenyl sulfonyl ring and a thiopene ring. The carbazole ring ... See full document

11

Crystal structure and Hirshfeld surface analysis of N,N′ bis­­(3 tert butyl 2 hy­dr­oxy 5 methyl­benzyl­­idene)ethane 1,2 di­amine

Crystal structure and Hirshfeld surface analysis of N,N′ bis­­(3 tert butyl 2 hy­dr­oxy 5 methyl­benzyl­­idene)ethane 1,2 di­amine

... dimers. Hirshfeld surface analysis and two-dimensional fingerprint plots indicate that the most important contributions to the crystal packing are from H H ... See full document

11

A triclinic polymorph of tri­cyclo­hexyl­phosphane sulfide: crystal structure and Hirshfeld surface analysis

A triclinic polymorph of tri­cyclo­hexyl­phosphane sulfide: crystal structure and Hirshfeld surface analysis

... As mentioned above, the structure of (I) has been reported previously in an orthorhombic form in two separate deter- minations (Kerr et al., 1977; Reibenspies et al., 1996). Data from the more recent ... See full document

13

Hirshfeld surface analysis and crystal structure of N (2 meth­­oxy­phen­yl)acetamide

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

Crystal structure, Hirshfeld surface analysis and HOMO–LUMO analysis of (E) 4 bromo N′ (4 meth­­oxy­benzyl­­idene)benzohydrazide

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

8

Crystal structure and Hirshfeld surface analysis of bis­­(2,6 di­amino­pyridinium) tetra­chlorido­cobaltate(II)

Crystal structure and Hirshfeld surface analysis of bis­­(2,6 di­amino­pyridinium) tetra­chlorido­cobaltate(II)

... The crystal structure consists of alternating inorganic layers, built from tetrachlorido- cobaltate anions, and organic layers formed by protonated cations of 2,6- ...The crystal packing is governed ... See full document

9

Bis(mefloquinium) butane­dioate ethanol monosolvate: crystal structure and Hirshfeld surface analysis

Bis(mefloquinium) butane­dioate ethanol monosolvate: crystal structure and Hirshfeld surface analysis

... the Hirshfeld surface are summarized in Table ...the Hirshfeld surface in the overall packing of (I) is due to the formation of a wide range of different inter- molecular interactions between ... See full document

17

Crystal structure and Hirshfeld surface analysis of 2 amino 4 meth­­oxy 6 methyl­pyrimidinium 2 hy­dr­oxy­benzoate

Crystal structure and Hirshfeld surface analysis of 2 amino 4 meth­­oxy 6 methyl­pyrimidinium 2 hy­dr­oxy­benzoate

... solve structure: SHELXTL (Sheldrick, 2008); program(s) used to refine structure: SHELXTL (Sheldrick, 2008); molecular graphics: SHELXTL (Sheldrick, 2008); software used to prepare material for publication: ... See full document

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