ABSTRACT: In the title compound, [Co(NO(3))(2)(C(19)H(16)N(4))], the diphenyl-dipyrazolylmethane ligand coordinates to Co(II) in a bidentate fashion forming a six-membered ring with an approximate boat configuration. The mean planes of the two pyrazolyl rings are separated by an angle of 39.6?(2)°. The coordination at the Co(II) center is best described as distorted octa-hedral with two NO(3) (-) anions serving as bidentate ligands for charge balance. The dihedral angle between the mean planes of the two nitrate rings is 85.0?(1)° and that between the mean planes of the two phenyl rings is 73.7?(1)°. The crystal structure is stabilized by weak inter-molecular C-H?O and intra-molecular C-H?N hydrogen-bond inter-actions.
Project description:In the title complex, [CoCl2(C25H21N5)], the Co(II) atom is coordinated by two Cl atoms and two N atoms, provided by a tridentate pyrazolylpyridyl ligand, forming a slightly distorted tetra-hedral geometry [range of angles: 96.51?(10) (chelate ring) to 118.60?(9)°]. The dihedral angle between Cl/Co/Cl and N/Co/N planes is 86.83?(7)°. The chelate ring has the conformation of a distorted boat. The dihedral angle between pyridyl ring and the coordinated pyrazolyl ring is 56.16?(12)°. The uncoordinated pyrazolyl ring is almost perpendicular to the pyridyl ring with the dihedral angle of 87.49?(10)°. In the crystal packing, inter-molecular phenyl-C-H ??(pyrid-yl) inter-actions generate dimeric aggregates. These are connected into a zigzag supra-molecular chain along the c-axis direction via ?-? inter-actions [inter-centroid distance between pyridyl and phenyl rings = 3.664?(2)?Å].
Project description:In the title compound, [Co(C21H15O3)3], the Co(III) ion is coordinated in a slightly distorted octa-hedral environment by three phenolate O and three benzoyl O atoms from three monoanionic bidentate 2,6-dibenzoyl-4-methyl-phenolate ligands. The dihedral angles between the mean planes of the central phenolate rings and the peripheral phenyl rings are 46.62?(10)/87.06?(9), 60.44?(8)/23.13?(8) and 46.49?(6)/65.29?(6)°. The crystal packing is stabilized by weak inter-molecular C-H?O inter-actions. Mol-ecules are further linked by two ?-? [centroid-centroid distances = 3.8612?(14) and 3.9479?(14)?Å] and four C-H?? inter-actions, forming a three-dimensional network.
Project description:The title compound, C(15)H(10)Br(2)O, is a chalcone with 2-bromo-phenyl and 4-bromo-phenyl rings bonded to opposite sides of a propenone group. The dihedral angle between mean planes of the benzene rings is 71.3?(1)°. The angle between the mean plane of the prop-2-ene-1-one group and the mean planes of the 2-bromo-phenyl and 4-bromo-phenyl rings are 64.2?(9) and 71.3?(1)°, respectively. A weak inter-molecular C-H?O inter-action and two weak C-Br?? inter-actions are observed, which contribute to the stability of the crystal packing.
Project description:In the title compound, C(14)H(13)NO, which has two mol-ecules in the asymmetric unit, the dihedral angles between the mean planes of the benzene rings are 84.6?(7) and 85.0?(6)°. N-H?O hydrogen bonds [forming R(2) (2)(8) ring motifs] and C-H?O hydrogen bonds dominate the crystal packing, forming zigzag chains parallel to the a axis. In addition, weak inter-molecular C-H?? inter-actions are observed.
Project description:The title compound, C(12)H(15)N(5)OS, was obtained by reaction of 2-(2-(methyl-thio)pyrimidin-4-yl)-3-oxopropane-nitrile with (tetra-hydro-furan-3-yl)hydrazine dihydro-chloride, and the racemic product was subsequently separated by chiral chromatography (first peak; [?](D) (20) = +51.3°). The chiral center at the substituted atom of the tetra-hydro-furanyl group has an R-configuration. The pyrimidine and pyrazolyl rings are almost coplanar, their mean planes forming a dihedral angle of 6.4?(1)°. One of the H atoms of the amino group participates in an intra-molecular hydrogen bond with the pyrimidine N atom in position 3. The second H atom is involved in an inter-molecular hydrogen bond, which links the mol-ecules into an infinite chain.
Project description:In the title complex, [Cu(C13H8NOS)2], the Cu(II) atom is coordinated by two N atoms and two O atoms from two bidentate benzo-thia-zolphenolate ligands, forming a distorted tetra-hedral geometry [dihedral angle between two N-Cu-O planes: 45.1?(2)°]. The dihedral angles between the benzo-thia-zole ring systems and the phenol rings are 4.1?(4) and 5.8?(4)°, indicating an almost planar geometry. Weak intra- and inter-molecular C-H?O hydrogen bonds are observed. In the crystal, weak ?-? inter-actions between aromatic and thia-zole rings [centroid-centroid distances = 3.626?(3) and 3.873?(3)?Å] link the mol-ecules into a two-dimensional supra-molecular network along the bc plane.
Project description:In the title compound, [Ni(C(19)H(18)Cl(2)N(2)O(2))], the Ni(II) atom shows a slightly distorted square-planar geometry. The dihedral angle between the mean planes of the coordination rings is 9.15?(12)° while the dihedral angle between the mean planes of the two aromatic rings is 3.48?(16)°. In the crystal, pairs of inter-molecular C-H?O hydrogen bonds link neighboring mol-ecules into a chain along the a axis. The crystal structure is further stabilized by ?-? inter-actions [centroid-centroid distance = 3.883?(2)?Å].
Project description:The title compound, C28H24N2O3, is a flexible Schiff base, having a dihedral angle of 59.53?(5)° between the mean planes of two phenyl rings bounded in the centre by a single O atom. The dihedral angles between the mean planes of the phenyl rings bonded to the central O atom and the mean planes of the terminal methyl-phenol rings are 31.47?(6) and 36.03?(5)°, respectively. The sp2-hybridized character of the azanylylidene groups is confirmed by their bond lengths and bond angles. In the crystal, mol-ecules are linked into centrosymmetric dimers by weak C-H?N inter-actions and connected into dimeric chains through weak C-H?O inter-actions. These chains are inter-connected into a two-dimensional network parallel to (1[Formula: see text]1) via weak C-H?? inter-actions.
Project description:The structure of the title compound, [Nd(2)(C(7)H(7)NO(2))(4)(H(2)O)(8)]Cl(6)·4H(2)O, consists of dimeric cationic units related by an inversion centre. The two Nd(III) atoms are linked by two bridging bidentate carboxyl-ate groups and two bidentate chelating bridging carboxyl-ate groups, with an Nd?Nd separation of 4.1259?(4)?Å. Each Nd(III) atom is nine-coordin-ated by five O atoms from the carboxyl-ate groups of the zwitterionic azaniumylbenzoate ligands and four from water mol-ecules. They adopt a distorted tricapped trigonal-prismatic arrangement. The dihedral angle between the mean planes of the benzene ring and the carboxlate groups are 7.7?(6) and 24.4?(5)°. The two carboxyl-ate groups are almost perpendicular to one another with a dihedral angle of 84.0?(7)°, while the two benzene rings are inclined to one another by 81.8?(2)°. The mol-ecular packing is stabilized by O-H(water)?Cl, O-H(water)?N, N-H?Cl, N-H?O, and O-H(water)?O hydrogen bonds and ?-? stacking inter-actions [centroid-centroid distance = 3.500?(3)?Å] between symmetry-related benzene rings. All of the Cl(-) anions and the uncoordinated water molecules are disordered over two sets of sites with different occupancy ratios.
Project description:In the title triangulo-triruthenium compound, [Ru(3)(C(25)H(22)As(2))(C(18)H(33)P)(CO)(9)], the bis-(diphenyl-arsino)methane ligand bridges an Ru-Ru bond and the monodentate phosphine ligand bonds to the third Ru atom. Both the phosphine and arsine ligands are equatorial with respect to the Ru(3) triangle. In addition, each Ru atom carries one equatorial and two axial terminal carbonyl ligands. All three cyclo-hexane rings are disordered over two positions with site occupancies of 0.628?(6) and 0.372?(6). The mean planes of these three phosphine-substituted cyclo-hexane rings make dihedral angles of 53.0?(8), 68.3?(6) and 89.9?(7)° (major components), and 46.7?(14), 41.3?(11) and 75.8?(10)° (minor components) with each other. The dihedral angles between the two phenyl rings are 85.0?(2) and 88.1?(2)° for the two diphenyl-arsino groups. Two cyclo-hexane rings adopt a chair conformation whereas the other adopts a slightly twisted chair conformation for the major components; these conformations are similiar for the minor components. Intra-molecular C-H?O hydrogen bonds stabilize the mol-ecular structure. In the crystal packing, the mol-ecules are linked together into chains via inter-molecular C-H?O hydrogen bonds down the a axis. Weak inter-molecular C-H?? inter-actions further stabilize the crystal structure.