Search results for "QD901-999"
showing 10 items of 249 documents
Crystal structure of bis(cyclohexylammonium) diphenyldioxalatostannate(IV)
2015
In the title salt, (CyNH3)2[Sn(Ph2)(C2O4)2] (Cy is cyclohexyl and Ph is phenyl), the SnPh2 moiety is chelated by two oxalate anions, leading to a cis arrangement within the distorted octahedral coordination sphere of the SnIV atom.
N-Methyl-4-(4-nitrophenyl)-N-nitroso-1,3-thiazol-2-amine
2017
The title compound, C10H8N4O3S, is almost planar [dihedral angle between the rings = 2.2 (2)°; r.m.s. deviation for the non-H atoms = 0.050 Å]. In the crystal, C—H...O and C—H...N hydrogen bonds link the molecules into (10-2) layers.
Crystal structure of the inorganic-organic hybrid material tris(N,Nʹ- dimethylethylenediammonium) bis(hexachloridorhodate(III)) dihydrate, C6H23Cl6N3…
2014
Abstract C6H23Cl6N3ORh, triclinic, P1¯ (no. 2), a = 6.9907(2) Å, b = 7.7437(3) Å, c = 15.8733(5) Å, α = 78.590(3)°, β = 89.035(2)°, γ = 85.304(2)°, V = 839.5 Å3, Z = 2, Rgt(F) = 0.0292, wRref(F2) = 0.0585, T = 295 K.
Crystal structure and absolute configuration of (4S,5R,6S)-4,5,6-trihydroxy-3-methylcyclohex-2-enone (gabosine H)
2017
The absolute configuration of the title compound, determined as 4S,5R,6S on the basis of the synthetic pathway, was confirmed by single-crystal X-ray diffraction. The molecule is formed by a substituted six-membered cyclohexene ring adopting an envelope conformation and substituted by carbonyl, methyl and hydroxyl groups. The supramolecular structure is mainly built by a combination of O—H⋯O and weaker C—H⋯O hydrogen bonds.
1-[2-(Benzylamino)-4-pyridyl]-2-(4-fluorophenyl)ethane-1,2-dione
2009
The crystal structure of the title compound, C20H15FN2O2, contains two crystallographically independent molecules, which are related by a pseudo-inversion center and linked into dimersviaintermolecular N—H...N hydrogen bonds. The 4-fluorophenyl ring of moleculeAmakes dihedral angles of 17.17 (16) and 62.25 (15)°, respectively, with the phenyl and pyridine rings. The 4-fluorophenyl ring of moleculeBmakes dihedral angles of 8.50 (16) and 64.59 (15)°, respectively, with the phenyl and pyridine rings. The dihedral angle between the pyridine ring and the phenyl ring of moleculeA[60.97 (15)°] is bigger than in moleculeB[59.49 (15)°]. The dihedral angle between the two pyridine rings is 1.37 (14)°…
1,1′-(Diphosphene-1,2-diyl)bis(2,2,6,6-tetramethylpiperidine)
2017
The title compound, C18H36N2P2, crystallizes in the triclinic space groupP-1 with two independent molecules in the asymmetric unit. Both molecules adopt atransconfiguration of the tetramethylpiperidine units along the P=P axis. The crystal packing is stabilized only by van der Waals interactions.
2,4-Di-tert-butyl-6-({[2-(di-methyl-amino)-eth-yl](2-hy-droxy-benz-yl)amino}-meth-yl)phenol.
2014
The title compound, C26H40N2O2, has both its N atoms in trigonal-pyramidal geometries. The molecular structure is stabilized by O—H...N and C—H...O hydrogen bonds. In the crystal, C—H...π interactions lead to the formation of a supramolecular helical chain along theb-axis direction.
1-{2-[4-(4-Nitrophenyl)piperazin-1-yl]ethyl}-4-aza-1-azoniabicyclo[2.2.2]octane iodide
2012
The title compound, C18H28N5O2+·I−, was observed as a main product in an intended 1:1 reaction between 4-iodonitrobenzene and 1,4-diazabicyclo[2.2.2]octane (DABCO). In the reaction, DABCO undergoes a ring opening to yield a quaternary salt of DABCO and 1-ethyl-4-(4-nitrophenyl)piperazine with an iodide anion. The crystal structure determination was carried out as no crystal structure had been previously reported in the investigations describing the corresponding reaction with 4-chloronitrobenze. Indeed, the crystal structure of the title compound confirms the molecular composition proposed earlier for the analogous chloride salt. The cation conformation is similar to the …
[Diaquasesqui(nitrato-κO)hemi(perchlorato-κO)copper(II)]-μ-{bis[5-methyl-3-(pyridin-2-yl)-1H-pyrazol-4-yl] selenide}-[triaqua(perchlor…
2013
In the binuclear title complex, [Cu2(ClO4)1.5(NO3)1.5(C18H16N6Se)(H2O)5]NO3·H2O, both CuII ions are hexacoordinated by O and N atoms, thus forming axially elongated CuO4N2 octahedra. The equatorial plane of each octahedron is formed by one chelating pyrazole–pyridine fragment of the organic ligand and two water molecules. The axial positions in one octahedron are occupied by a water molecule and a monodentately coordinated perchlorate anion, while those in the other are occupied by a nitrate anion and a disordered perchlorate/nitrate anion with equal site occupancy. The pyrazole–pyridine units of the organic selenide are trans-oriented to each other with a C—Se—…
Dibromido[N-(1-diethylamino-1-oxo-3-phenylpropan-2-yl)-N′-(pyridin-2-yl)imidazol-2-ylidene]palladium(II) dichloromethane monosolvate
2019
In the molecule of the title N,N′-disubstituted imidazol-2-ylidene palladium(II) complex, [PdBr2(C21H24N4O)]·CH2Cl2, the palladium(II) atom adopts a slightly distorted square-planar coordination (r.m.s. deviation = 0.0145 Å), and the five-membered chelate ring is almost planar [maximum displacement = 0.015 (8) Å]. The molecular conformation is enforced by intramolecular C—H...Br hydrogen bonds. In the crystal, complex molecules and dichloromethane molecules are linked into a three-dimensional network by C—H...O and C—H...Br hydrogen bonds.