SUPRAMOLECULAR FEATURES
Crystal structure and Hirshfeld surface analysis of the methanol solvate of sclareol, a labdane type diterpenoid
... Supramolecular features and Hirshfeld surface analysis The insertion of the methanol solvent into the crystal alters the previously reported orthorhombic P212121 crystal symmetry of scla[r] ...
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Crystal structure of di μ chlorido bis[chloridobis(1,2 dimethyl 5 nitro 1H imidazole κN3)copper(II)] acetonitrile disolvate
... Supramolecular features The crystal structure displays a number of weak intermolecular interactions between hydrogen atoms of CH groups and the more electronegative atoms on adjacent mol[r] ...
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Crystal structure and Hirshfeld surface analysis of (E) 1 [(4,7 dimethylquinolin 2 yl)methylidene]semicarbazide dihydrate
... Supramolecular features The crystal packing of the title compound features four intermolecular O—H O, N—H O and O—H N hydrogen bonds Table 1 and Fig.. 2 as well as those already menti[r] ...
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Crystal structure of 4 amino 5 fluoro 2 oxo 2,3 dihydropyrimidin 1 ium 3 hydroxypyridine 2 carboxylate
... Supramolecular features In the crystal structure, the carboxylate group of the 3-hydroxypicolinate anion O3 and O4 interacts with the protonated N3 atom and the 4-amino group of the 5-fl[r] ...
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Crystal structures of 2,6 bis[(1H 1,2,4 triazol 1 yl)methyl]pyridine and 1,1 [pyridine 2,6 diylbis(methylene)]bis(4 methyl 1H 1,2,4 triazol 4 ium) iodide triiodide
... Supramolecular features In compound I, the predominant intermolecular interactions are the C—H N hydrogen bonds between the acidic hydrogen atoms of the triazole ring and the nitrogen l[r] ...
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Crystal structure and the DFT and MEP study of 4 benzyl 2 [2 (4 fluorophenyl) 2 oxoethyl] 6 phenylpyridazin 3(2H) one
... Supramolecular features In the crystal, the A molecules are linked by pairs of C—H F hydrogen bonds, forming inversion dimers with an R22 28 ring motif Table 1 and Fig.. The dimers are [r] ...
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Crystal structure of a nickel compound comprising two nickel(II) complexes with different ligand environments: [Ni(tren)(H2O)2][Ni(H2O)6](SO4)2
... Supramolecular features The crystal structure of the title compound is consolidated through intermolecular hydrogen bonding between the water molecules from the [NitrenH2O2] complex, the[r] ...
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2 ({[(Pyridin 1 ium 2 ylmethyl)carbamoyl]formamido}methyl)pyridin 1 ium bis(3,5 dicarboxybenzoate): crystal structure and Hirshfeld surface analysis
... title salt are given in Fig. 4. The formation of charge-assisted hydroxyl-O—H O(carboxylate) and pyridinium-N— H O(carboxylate) hydrogen bonds in the crystal appear as distinct dark-red spots near the respective donor ...
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Crystal structure of bis(pyridine 4 carbothioamide κN1)bis(thiocyanato κN)cobalt(II) methanol monosolvate
... Supramolecular features The discrete complexes are linked into a three-dimensional network by centrosymmetric pairs of intermolecular N— H S hydrogen bonds between the amino H atoms and[r] ...
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Crystal structure and Hirshfeld surface analysis of 2,4 diamino 6 phenyl 1,3,5 triazin 1 ium 4 methylbenzenesulfonate
... Supramolecular features In the crystal, the protonated nitrogen N5 and amino group nitrogen N4 atoms are involved in hydrogen bonding with the 4-methylbenzene sulfonate oxygen atoms O2 a[r] ...
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Crystal structure and Hirshfeld surface analysis of (E) 3 [(4 chlorobenzylidene)amino] 5 phenylthiazolidin 2 iminium bromide
... Supramolecular features and Hirshfeld surface analysis In the crystal, centrosymmetrically related cations and anions are linked into dimeric units via N—H Br hydrogen bonds, which are [r] ...
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Crystal structures of (acetonitrile κN)tris(pyridine 4 thioamide κN)bis(thiocyanate κN)cobalt(II) acetonitrile disolvate and tetrakis(pyridine 4 thioamide κN)bis(thiocyanate κN)nickel(II) methanol pentasolvate
... Supramolecular features In the crystal structure of compound 1, the discrete complexes are linked by intermolecular N—H S hydrogen bonding between the H atoms of the amino groups and th[r] ...
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Crystal structures of 2′ benzoyl 1′ (4 methylphenyl) 1,1′,2,2′,5′,6′,7′,7a′ octahydrospiro[indole 3,3′ pyrrolizin] 2 one and 2′ (4 bromobenzoyl) 1′ (2 chlorophenyl) 1,1′,2,2′,5′,6′,7′,7a′ octahydrospiro[indole 3,3′ pyrrolizin] 2 one
... Supramolecular features Even if the differences in the substituents produce differences in lattice types, space group, cell metrics, etc, these molecular modifications do not seem to aff[r] ...
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5 Amino 1 (2′,3′ O isopropylidene D ribityl) 1H imidazole 4 carboxamide: a crystal structure with Z′ = 4
... Supramolecular features In the crystal of the title compound, the cluster of the four crystallographically independent molecules A, B, C, D has approximate non-crystallographic C2 point [r] ...
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Crystal structure of (1S,4S) 2,5 diazoniabicyclo[2 2 1]heptane dibromide
... Supramolecular features In the crystal structure of 1, the protonated nitrogen sites in the two symmetrically non-equivalent 2,5-diazabicyclo[2.2.1]heptane cages are counter balanced by [r] ...
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Crystal structure of the magnesium salt of the herbicide 2,4 D: pentaaqua[(2,4 dichlorophenoxy)acetato κO]magnesium (2,4 dichlorophenoxy)acetate hemihydrate
... Supramolecular features In the crystal of the title compound, inter-unit O—H O hydrogen-bonding interactions Table 1 involving all coordinating water molecules, as well as the hemihydra[r] ...
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Crystal structure of (2,2′ bipyridine κ2N,N′)bis(3,5 di tert butyl o benzoquinonato κ2O,O′)ruthenium(II)
... Supramolecular features In the crystal, the complex molecules are linked via C—H O hydrogen bonds Table 2 and – stacking interactions between inversion-related 2,20 -bipyridine ligands [r] ...
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Crystal structure of bis(μ 3 nitrobenzoato) κ3O,O′:O;κ3O:O,O′ bis[bis(3 cyanopyridine κN1)(3 nitrobenzoato κ2O,O′)cadmium]
... Supramolecular features Intramolecular C—Hcpy Oc cpy = cyanopyridine and c = carboxylate and C—Hnb Oc nb = nitrobenzoate hydrogen bonds Table 2 link the cyanopyridine and nitrobenzoate[r] ...
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Crystal structure of a mixed solvated form of amoxapine acetate
... Supramolecular features The title compound crystallizes with one molecule of protonated AXPN and an acetate anion each with a molecule of acetic acid and a half molecule of cyclohexane w[r] ...
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Crystal structure of 2,7 diethoxy 1,8 bis(4 nitrobenzoyl)naphthalene
... Supramolecular features In the crystal, the molecular packing of the title compound is mainly stabilized by a pair of C—H O C hydrogen bonds between the benzene ring and the ketonic car[r] ...
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