journal menu
inorganic compounds
Open 
access
access
The structure of the title compound, (Ag0.79Co0.11)Co(H2O)2[BP2O8]·0.67H2O is isotypic to that of its recently published counterparts AgMg(H2O)2[BP2O8]·H2O and (Ag0.57Ni0.22)Ni(H2O)2[BP2O8]·0.67H2O. It consists of infinite borophosphate helical ribbons [BP2O8]3−, built up from alternate BO4 and PO4 tetrahedra arranged around the 65 screw axes. The vertex-sharing BO4 and PO4 tetrahedra form a spiral ribbon of four-membred rings in which BO4 and PO4 groups alternate. The ribbons are connected through slightly distorted CoO4(H2O)2 octahedra whose four O atoms belong to the phosphate groups. The resulting three-dimensional framework is characterized by hexagonal channels running along [001] in which the remaining water molecules are located. The main difference between the Mg-containing and the title structure lies in the filling ratio of Wyckoff positions 6a and 6b in the tunnels. The refinement of the occupancy rate of the site 6a shows that it is occupied by water at 67%, while the refinement of that of the site 6b shows that this site is partially occupied by 78.4% Ag and 10.8% Co, for a total of 82.2%. The structure is stabilized by O—H
O hydrogen bonds between water molecules and O atoms that are part of the helices.
O hydrogen bonds between water molecules and O atoms that are part of the helices.inorganic compoundsOpen access
access
The title compound, Co2Pb(HPO4)(PO4)OH·H2O, which was synthesized under hydrothermal conditions, crystallizes in a new structure type. Except for two O atoms in general positions and two Co atoms on centres of symmetry, all other atoms in the asymmetric unit (1 Pb, 2 Co, 2 P, 8 O and 4 H) are located on mirror planes. The structure is built up from two infinite linear chains, viz. 1∞[CoO2/1(H2O)2/2O2/2] and 1∞[CoO2/1(OH)2/2O2/2], of edge-sharing CoO6 octahedra running along [010]. Adjacent chains are linked to each other through PO4 and PO3(OH) tetrahedra, leading to the formation of layers parallel to (100). The three-dimensional framework is formed by stacking along [100] of adjacent layers that are held together by distorted PbO8 polyhedra. Hydrogen bonds of the type O—HO involving the water molecule are very strong, while those O atoms involving the OH groups form weak bifurcated and trifurcated hydrogen bonds.
O involving the water molecule are very strong, while those O atoms involving the OH groups form weak bifurcated and trifurcated hydrogen bonds.inorganic compoundsOpen access
access
The structure of the title compound, K2Na3P3O10, is characterized by open chains of three PO4 tetrahedra linked by single oxygen bridges. The P3O10 groups have crystallographic twofold symmetry, with the central P atom being located on the twofold rotation axis. One of the sodium ions lies on a centre of inversion, whereas all the remaining atoms are in general positions. The structure is isotypic with that of the high-temperature form of Na5P3O10 phase I.
inorganic compoundsOpen access
access
The structure of the title compound, NaK5Ni5(P2O7)4, is characterized by the presence of two crystallographically independent P2O7 groups with different conformations. The conformation of the first P2O7 group is eclipsed, whereas that of the second is staggered. All atoms are in general positions except for two nickel and one potassium ions which lie on symmetry centers. Moreover, the structure exhibits disorder of the cationic sites with one general position fully occupied equally by Na+ and Ni2+ cations. This mixed site is surrounded by five O atoms forming a square-based pyramid. The crystal structure consists of edge-sharing [NiO6] octahedra forming infinite zigzag chains [Ni3O14] running parallel to [100]. Adjacent chains are connected through apices to P2O7 groups and to another [NiO6] or to a [KO6] octahedron. The resulting three-dimensional framework presents intersecting tunnels running along the [010] and [001] directions in which the seven- and nine-coordinated potassium cations are located. The crystal structure of this new phosphate represents a new structural type.
inorganic compoundsOpen access
access
The title compound, Pb2Mn3(HPO4)2(PO4)2, was synthesized by a hydrothermal method. All atoms are in general positions except for one Mn atom which is located on an inversion center. The framework of the structure is built up from PO4 tetrahedra and two types of MnO6 octahedra, one almost ideal and the other very distorted with one very long Mn—O bond [2.610 (4) Å compared an average of 2.161 Å for the other bonds]. The centrosymetric octahedron is linked to two distorted MnO6 octahedra by an edge common, forming infinite zigzag Mn3O14 chains running along the b axis. Adjacent chains are linked by PO4 and PO3(OH) tetrahedra through vertices or by edge sharing, forming sheets perpendicular to [100]. The Pb2+ cations are sandwiched between the layers and ensure the cohesion of the crystal structure. O—HO hydrogen bonding between the layers is also observed.
O hydrogen bonding between the layers is also observed.metal-organic compoundsOpen access
access
2,5-Bis(pyridin-2-yl)-1,3,4-thiadiazole (denoted L) has been found to act as a bidentate ligand in the monomeric title complex, [Cu(CF3O3S)(C12H8N4S)2(H2O)](CF3O3S). The complex shows a distorted octahedrally coordinated copper(II) cation which is linked to two thiadiazole ligands, one water molecule and one trifluoromethanesulfonate anion. The second trifluoromethanesulfonate anion does not coordinate the copper(II) cation. Each thiadiazole ligand uses one pyridyl and one thiadiazole N atom for the coordination of copper. The N atom of the second non-coordinating pyridyl substituent is found on the same side of the 1,3,4-thiadiazole ring as the S atom. The trifluoromethanesulfonate ions are involved in a three-dimensional network of O—HO hydrogen bonds. C—HN interactions also occur.
O hydrogen bonds. C—HN interactions also occur.organic compoundsOpen access
access
The title compound, C25H33ClN2O5, was synthesized from 9α-hydroxyparthenolide (9α-hydroxy-4,8-dimethyl-12-methylene-3,14-dioxatricyclo[9.3.0.02,4]tetradec-7-en-13-one), which was isolated from the chloroform extract of the aerial parts of Anvillea radiata. The molecule is built up from fused five- and ten-membered rings with two additional epoxy ring systems and a chlorophenylpiperazine group as a substituent. The ten-membered ring adopts an approximate chair–chair conformation, while the piperazine ring displays a chair conformation and the five-membered ring shows an envelope conformation with the C atom closest to the hydroxy group forming the flap. The molecular conformation is stabilized by an intramolecular O—HN hydrogen bond between the hydroxy group and a piperazine N atom. The crystal structure is stabilized by weak C—HO interactions.
N hydrogen bond between the hydroxy group and a piperazine N atom. The crystal structure is stabilized by weak C—HO interactions.organic compoundsOpen access
access
In the title compound, C15H22N2O, the octyl group adopts an all-trans conformation. In the crystal, molecules form centrosymmetric dimers with an R22(8) graph-set motif, linked by pairs of N—HO hydrogen bonds. In addition, C—HO contacts are observed.
O hydrogen bonds. In addition, C—HO contacts are observed.organic compoundsOpen access
access
The title compound, C25H34N2O6, was synthesized from 9α-hydroxyparthenolide (9α-hydroxy-4,8-dimethyl-12-methylene-3,14-dioxatricyclo[9.3.0.02,4]tetradec-7-en-13-one), which was isolated from the chloroform extract of the aerial parts of Anvillea radiata. The ten-membered ring adopts an approximate chair–chair conformation, while the piperazine ring displays a near regular chair conformation and the five-membered ring an envelope conformation with the C atom closest to the hydroxy group forming the flap. The molecular conformation is stabilized by an O—HN hydrogen bond, which generates an S(7) loop, and the crystal structure features weak C—HO interactions.
N hydrogen bond, which generates an S(7) loop, and the crystal structure features weak C—HO interactions.metal-organic compoundsOpen access
access
The asymmetric unit of the title compound, [Zn(HPO4)(C2H3N3)]n, contains one Zn2+ cation, one (HPO4)2− anion and a 1,2,4 triazole ligand. The Zn2+ cation is coordinated in a quite regular tetrahedral geometry by O atoms from three phosphate groups and a tertiary N atom from the triazole ring. Each phosphate anion is connected to three ZnII cations, leading to a series of corrugated organic–inorganic layers parallel to the ac plane. The overall structure involves stacking of complex hybrid organic–inorganic layers along the b axis. Cohesion in the crystal is ensured by an infinite three-dimensional network of N—HO and O—HO hydrogen bonds between the phosphate groups and the triazole ligands.
O and O—HO hydrogen bonds between the phosphate groups and the triazole ligands.organic compoundsOpen access
access
The title compound, C10H10NO2+·Cl−, contains a quinoline ring system which is essentially planar, with the largest deviation from the mean plane being 0.017 (1) Å. In the crystal, the ion pairs and their inversion-symmetry-related partners are linked by N—HCl and O—HCl hydrogen bonds to form tetramers which are further connected through O—HO hydrogen bonds, building infinite one-dimensional chains parallel to the [010] direction.
Cl and O—HCl hydrogen bonds to form tetramers which are further connected through O—HO hydrogen bonds, building infinite one-dimensional chains parallel to the [010] direction. organic compoundsOpen access
access
The title compound, C16H24Br2, was synthesized from β-himachalene (3,5,5,9-tetramethyl-2,4a,5,6,7,8-hexahydro-1H-benzocycloheptene), which was isolated from the essential oil of the Atlas cedar (Cedrus Atlantica). The molecule is built up from two fused six- and seven-membered rings and an additional three-membered ring from the reaction of β-himachalene with dibromocarbene. The six-membered ring shows a screw-boat conformation, whereas the seven-membered ring displays a boat conformation; the dihedral angle between the mean planes through the rings is 57.9 (4)°. The absolute structure was established unambiguously from anomalous dispersion effects.
organic compoundsOpen access
access
In the title compound, C19H30N2O, the fused ring system is essentially planar, the maximum deviation from the mean plane being 0.013 (2) Å for the N atom bearing the dodecyl chain. The 1-dodecyl group is almost perpendicular to the 1H-benzo[d]imidazol-2(3H)-one plane as indicated by the dihedral angle of 82.9 (2)°between planes through the fused ring system and the first three C atoms of the chain. The C—C—C—C torsion angles (about ±179°) of the dodecyl group indicate an antiperiplanar conformation. In the crystal, inversion dimers are formed by pairs of N—HO hydrogen bonds.
O hydrogen bonds.organic compoundsOpen access
access
In the compound, C37H29N5O8, the quinazoline residue forms a dihedral angle of 72.90 (9)° with the triazole ring. The furan ring adopts a twist conformation. In the crystal, the molecules are linked by non-classical C—HN and C—HO hydrogen bonds, building an infinite three-dimensional network.
N and C—HO hydrogen bonds, building an infinite three-dimensional network.organic compoundsOpen access
access
The fused five- and six-membered rings in the title compound, C10H10N2O, are approximately coplanar, with an r.m.s. deviation of 0.008 Å. The mean plane of the allyl group is roughly perpendicular to the mean plane of the 1,3-benzimidazol-2(3H)-one system, making a dihedral angle of 86.1 (2)°. In the crystal, each molecule is linked to its symmetry equivalent partner by a pair of N—HO and C—HO hydrogen bonds.
O and C—HO hydrogen bonds.organic compoundsOpen access
access
The title compound, C16H22Br2O, was synthesized from β-himachalene (3,5,5,9-tetramethyl-2,4a,5,6,7,8-hexahydro-1H-benzocycloheptene), which was isolated from the essential oil of the Atlas cedar (Cedrus Atlantica). The molecule is built up from fused six- and seven-membered rings and an additional three-membered ring from the reaction of himachalene with dibromocarbene. The six-membered ring has an envelope conformation, with the C atom belonging to the three-membered ring forming the flap, whereas the seven-membered ring displays a screw-boat conformation; the dihedral angle between the rings (all atoms) is 60.92 (16)°.
organic compoundsOpen access
access
The fused five- and six-membered rings in the title molecule, C10H9N3O2, are essentially coplanar, the largest deviation from the mean plane being 0.012 (1) Å for the C atom linked to the nitro group. The fused-ring system makes a dihedral angle of 11.34 (6)° with the nitro group, leading to a syn-periplanar conformation. The plane through the atoms forming the allyl group is nearly perpendicular to the indazole fused-ring system, as indicated by the dihedral angle of 73.3 (5)°. In the crystal, each molecule is linked to its symmetry equivalent about the center of inversion by pairs of non-classical C—HO hydrogen bonds, forming an extended tape motif parallel to the (-12-1) plane.
O hydrogen bonds, forming an extended tape motif parallel to the (-12-1) plane.organic compoundsOpen access
access
In the molecule of the title compound, C15H12ClNO3, the chlorobenzamide and benzoate units are almost co-planar, with a dihedral angle between the six-membered rings of 2.99 (10)°. An intramolecular N—HO hydrogen bond occurs. In the crystal, each molecule is linked to a symmetry-equivalent counterpart across a twofold rotation axis by weak C—HO and C—HCl hydrogen bonds, forming dimers. The packing is stabilized through weak π–π stacking along the b-axis direction, leading to π-stacked columns of inversion-related molecules, with an interplanar distance of 3.46 (2) Å and a centroid–centroid vector of 3.897 (2) Å.
O hydrogen bond occurs. In the crystal, each molecule is linked to a symmetry-equivalent counterpart across a twofold rotation axis by weak C—HO and C—HCl hydrogen bonds, forming dimers. The packing is stabilized through weak π–π stacking along the b-axis direction, leading to π-stacked columns of inversion-related molecules, with an interplanar distance of 3.46 (2) Å and a centroid–centroid vector of 3.897 (2) Å.
