Crystal structure of 3-(2-ethoxy-2-oxoethyl)-1-methyl-1H-imidazol-3-ium hexafluoridophosphate(V), C8H13F6N2O2P

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Crystal structures of the two salts 2-methyl-1H-imidazol-3-ium nitrate–2-methyl-1H-imidazole (1/1) and 2-methyl-1H-imidazol-3-ium nitrate

The title salts, C4H7N2 (+)·NO3 (-)·C4H6N2, (I), and C4H7N2 (+)·NO3 (-), (II), were obtained from solutions containing 2-methyl-imidazole and nitric acid in different concentrations. In the crystal structure of salt (I), one of the -NH H atoms of the imidazole ring shows half-occupancy, hence only every second mol-ecule is in its cationic form. The nitrate anion in this structure lies on a twof...

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3-(2-Bromo­benz­yl)-1-methyl-1H-imidazol-3-ium bromide

In the title compound, C(11)H(12)BrN(2) (+)·Br(-), the imidazole and phenyl rings are nearly perpendicular, making a dihedral angle of 87.71 (7)°. The crystal structure is stabilized by non-classical inter-molecular C-H⋯Br hydrogen bonds and inversion-related mol-ecules are linked through π-π inter-actions between the imidazole ring systems [centroid-centroid distance = 3.472 (6) Å].

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Crystal structure of 2-ethyl-4-methyl-1-(2-oxido-3,4-dioxo­cyclo­but-1-en-1-yl)-1H-imidazol-3-ium

In the title inner salt molecule, C10H10N2O3, the four-membered cyclobutene ring is twisted by 7.1 (2)° with respect to the five-membered imidazole ring. The crystal packing exhibits an R 2 (2)(9) hydrogen-bonding ring motif through N-H⋯O and C-H⋯O inter-actions. The potential non-linear optical properties were studied by a computational ab initio calculations performed at the DFT/B3LYP/6-31++G...

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Crystal structure of 2-methyl-1H-imidazol-3-ium aqua­tri­chlorido­(oxalato-κ2 O,O′)stannate(IV)

The tin(IV) atom in the complex anion of the title salt, (C4H7N2)[Sn(C2O4)Cl3(H2O)], is in a distorted octa-hedral coordination environment defined by three chlorido ligands, an oxygen atom from a water mol-ecule and two oxygen atoms from a chelating oxalate anion. The organic cation is linked through a bifurcated N-H⋯O hydrogen bond to the free oxygen atoms of the oxalate ligand of the complex...

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Crystal structure of bis-(2-methyl-1H-imidazol-3-ium) tetra-chlorido-cobaltate(II).

The asymmetric unit of the title compound, (C4H7N2)2[CoCl4], consists of two 2-methyl-imidazolium cations and one tetra-hedral [CoCl4](2-) anion. The anions and cations inter-act through N-H⋯Cl hydrogen bonds to define layers with a stacking direction along [100]. Besides van der Waals forces, weak C-H⋯Cl inter-actions between these layers stabilize the crystal packing.

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ژورنال

عنوان ژورنال: Zeitschrift für Kristallographie - New Crystal Structures

سال: 2019

ISSN: 2197-4578,1433-7266

DOI: 10.1515/ncrs-2019-0273