Project description:In the title compound, [NH(3)(CH(2))(5)NH(3)][PdCl(4)], the square-planar [PdCl(4)](2-) anions are centrosymmetric while the diammonium cation lies in a general position. In addition to electrostatic inter-actions, the two species are linked through N-H⋯Cl hydrogen bonds to form a three-dimensional network.
Project description:The asymmetric unit of the title compound, C(9)H(9)NO(2)·2H(2)O, comprises two independent organic mol-ecules and four water mol-ecules of crystallization. The heterocyclic rings are not planar: in one mol-ecule, the C atom bearing the O atom and the adjacent methyl-ene C atom are displaced by 0.320 (3) and 0.677 (3) Å, respectively, from the other eight atoms of the fused ring system. Equivalent values of 0.243 (3) and 0.659 (3) Å apply to the second mol-ecule. In the crystal, the components are linked by N-H⋯O and O-H⋯O hydrogen bonds, forming a three-dimensional network.
Project description:In the crystal structure of the title compound, C(20)H(44)NO(2) (+)·Br(-), the cation and anion are connected via an O-H⋯Br hydrogen bond, forming an ionic pair. The cation is disordered over two conformations related by a mirror plane, and the anion is situated on a mirror plane so that the asymmetric unit contains half of the ionic pair. The long alkyl chain in the cation adopts an all-trans conformation. The crystal packing exhibits weak inter-molecular C-H⋯O inter-actions.
Project description:The title compound, C18H20N2O3S, exists as the phenol-imine form in the crystal and there are bifurcated intra-molecular O-H⋯(N/O) hydrogen bonds present. The conformation about the C=N bond is anti (1E); the C=N imine bond length is 1.287 (4) Å and the C=N-C angle is 122.5 (3)°. In the tetrahydrothienopyridine moiety, the six-membered ring has a flattened-boat conformation. In the crystal, mol-ecules are stacked nearly parallel to (110) and a weak C-H⋯π inter-action is observed. The carbonyl O atom is disordered over two positions and was refined with a fixed occupancy ratio of 0.7:0.3.
Project description:The asymmetric unit of the title salt, C(6)H(16)NO(+)·C(10)H(4)ClN(4)O(7) (-)·0.5H(2)O, contains two cations, two anions and one water mol-ecule. In one independent anion, one nitro group is rotationally disordered over two orientations in a 0.657 (8):0.343 (8) ratio. In the crystal, inter-molecular N-H⋯O and O-H⋯O hydrogen bonds link all the components into ribbons extending along [100].
Project description:In the title compound, 2C(17)H(24)NO(+)·BF(4) (-)·F(-)·H(2)O, the asymmetric unit contains two N-(2-hy-droxy-benz-yl)adamantan-1-aminium cations, one BF(4) (-) anion, one F(-) anion and one water mol-ecule. Both amine N atoms are protonated. The hy-droxy O atoms, amino N atoms and water O atom are involved in inter-molecular O-H⋯O, O-H⋯F, N-H⋯O and N-H⋯F hydrogen bonding.
Project description:The asymmetric unit of the title inorganic-organic hybrid compound, (C10H16N2O)[CoCl4]·H2O, consists of a tetrahedral [CoCl4](2-) anion, together with a [C10H18N2O](2+) cation and a water mol-ecule. Crystal cohesion is achieved through N-H⋯Cl, O-H⋯Cl and N-H⋯O hydrogen bonds between organic cations, inorganic anions and the water mol-ecules, building up a three-dimensional network.
Project description:The pyridine ring in the title compound, C(39)H(47)NO(7)·0.5C(2)H(5)OH·0.5 H(2)O, is connected to one 3,3,6,6-tetra-methyl-1,8-dioxoxanthenyl and one 4a-hy-droxy-3,3,6,6-tetra-methyl-1,8-dioxodeca-hydroxanthenyl substituent in the 2- and 6-positions of the ring. In the former substituent, the six-membered xanthenyl ring adopts a flattened envelope conformation (with the methine C atom as the flap) while in the latter, the six-membered xanthenyl ring adopts a twisted envelope conformation (with the C atom bearing the hy-droxy group representing the flap). The hy-droxy H atom forms an intra-molecular hydrogen bond to the pyridyl N atom. An ethanol solvent mol-ecule is disordered with respect to a water mol-ecule in a 1:1 ratio. The water mol-ecule itself is disordered over two positions of equal occupancy.
Project description:In the title compound, C10H11NO2, two independent but virtually superimposable mol-ecules, A and B, comprise the asymmetric unit. The heterocyclic ring in each mol-ecule has a screw-boat conformation, and the methyl-hydroxyl group occupies a position to one side of this ring with N-C-C-O torsion angles of -55.30 (15) (mol-ecule A) and -55.94 (16)° (mol-ecule B). In the crystal, O-H⋯O and N-H⋯O hydrogen bonding leads to 11-membered {⋯HNCO⋯HO⋯HNC2O} heterosynthons, involving three different mol-ecules, which are edge-shared to generate a supra-molecular chain along the a axis. Inter-actions of the type C-H⋯O provide additional stability to the chains, and link these into a three-dimensional architecture.
Project description:The dihydro-pyridine ring in the title compound, C(25)H(31)NO(4), adopts an envelope conformation with the methine C atom representing the flap. The cyclo-hexenone rings also adopt envelope conformations with the C atoms bearing the methyl C atoms representing the flaps. The phenolic hy-droxy group forms an intra-molecular hydrogen bond to one of the two keto O atoms. The hy-droxy group of the N-bonded alkyl chain forms an inter-molecular hydrogen bond to the other keto O atom of an adjacent mol-ecule. The latter hydrogen bond leads to the formation of a helical chain running along the b axis.