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1.  The highly saddled diacid salt of octaethyltetraphenylporphyrin-[H4OETPP] 2Cl 
The title compound, [H4OETPP] 2 C 1, displays a highly S4-saddled porphyrin core with the β-carbon atoms displaced 1.23 (9) Å out of the four-nitrogen plane. All nitrogen atoms are protonated and form hydrogen bonds with chloride anions.
PMCID: PMC2710851  PMID: 19609368
2.  L-(+)-Bornesitol 
The structure of the title compound, C7H14O6, one natural myo-inositol derivative has been determinaded. Average atom distances, bond lengths and dihedral angles are similar to myo-inositol.
PMCID: PMC2582817  PMID: 19011691
3.  Dichlorobis(1-ethylimidazole)zinc(II) 
The Zn atom in the structure of the title compound, [ZnCl2(C5N2H8)2], exhibits a distorted tetrahedral geometry and is coordinated by two Cl and two N atoms, with Zn—Cl distances of 2.2519 (2) and 2.2531 (2) Å, and Zn—N distances of 1.9998 (7) and 2.0087 (7) Å. The angles Cl—Zn—Cl and N—Zn—N are 114.742 (9) and 108.50 (3)°, respectively.
PMCID: PMC2174786  PMID: 18176628
4.  Reinvestigation of tris­odium dihydroxido­tetra­oxidoneptunate(VII) dihydrate 
The title compound, Na3[NpO4(OH)2]·2H2O, contains distorted tetra­gonal–bipyramidal centrosymmetric [NpO4(OH)2]3− complex anions. The Np—O distances are 1.8975 (7) and 1.8891 (7) Å in the NpO4 group and 2.3451 (7) Å to the OH group. Both Na atoms (one in a general position, the second in a special position on an inversion centre) have a distorted octahedral oxygen environment.
PMCID: PMC2914884  PMID: 21200456
5.  Poly[[tetra-μ2-aqua-diaqua-μ6-oxalato-barium(II)] 2,4,6-trinitro­phenolate monohydrate]. Corrigendum 
Corrigendum to Acta Cryst. (2007), E63, o2296.
In the paper by Hong, Song & Wu [Acta Cryst. (2007), E63, o2296], the scheme shows the wrong structure. The correct scheme is shown below and the compound name is corrected to "poly[[di-μ2-aqua-diaqua-hemi-μ6-oxalato-barium(II)] 2,4,6-trinitro­phenolate monohydrate", {[Ba(C2O4)0.5(H2O)4]C6H2N3O7·H2O}n.
PMCID: PMC2914902  PMID: 21200449
6.  Poly[μ3-aqua-μ2-2,4-dinitro­phenolato-rubidium(I)] 
The asymmetric unit of the title compound, [Rb(C6H3N2O5)(H2O)]n, comprises a rubidium cation, a 2,4-dinitro­phenoxide anion and a water mol­ecule. The Rb+ cation is 11-coordinated by O atoms from 2,4-dinitro­phenolate anions and water mol­ecules. The metal centre is firstly coordinated by two μ3-H2O to form a one-dimensional ladder-shaped unit, [Rb2(μ3-H2O)2], which is further linked by 2,4-dinitro­phenolate to give the three-dimensional framework of the title compound. The crystal structure involves O—H⋯O hydrogen bonds.
PMCID: PMC2915150  PMID: 21200571
7.  catena-Poly[cobalt(II)-bis­(μ-3,7-dichloro­quinoline-8-carboxyl­ato-κ3 N,O:O′)] 
In the crystal structure of the title compound, [Co(C10H4Cl2NO2)2]n, the CoII cation lies on a twofold rotation axis. Each cation is N,O-chelated by the carboxyl­ate anions of two 3,7-dichloro­quinoline-8-carboxyl­ate ligands. The second carboxyl­ate O atom of each ligand coordinates to the CoII cation of an adjacent mol­ecule, linking the cations into a linear chain. Strong inter­chain π–π stacking inter­actions are observed in the crystal structure (perpendicular distance 3.42 Å, centroid-to-centroid distance 3.874 Å)
PMCID: PMC2915151  PMID: 21200573
8.  Bis(2,2′-biimidazole-κ2 N,N′)bis­(2-bromo­fumarato-κO)copper(II) 
In the title compound, [Cu(C4H2BrO4)2(C6H6N4)2], the central CuII atom lies on an inversion center and is six-coordinated in an octahedral geometry by four N atoms from two chelating biimidazole mol­ecules in the equatorial plane and two O atoms from two 2-bromo­fumarate ligands in the axial positions. O—H⋯O, N—H⋯O and C—H⋯O hydrogen bonds lead to a three-dimensional network.
PMCID: PMC2915152  PMID: 21200574
9.  (1,10-Phenanthroline-κ2 N,N′)bis­(2,2,6,6-tetra­methyl­heptane-3,5-dionato-κ2 O,O′)nickel(II) 
The title compound, [Ni(C11H19O2)2(C12H8N2)], was obtained from the reaction of bis­(2,2,6,6-tetra­methyl­heptane-3,5-dionato)nickel(II), [Ni(dpm)], and 1,10-phenanthroline (phen). The NiII ion is coordinated by four O atoms from two dpm ligands and two N atoms from a phen ligand in a slightly distorted octa­hedral environment. The methyl C atoms of two of the tert-butyl groups are disordered over two sites, having approximate occupancies of 0.85 and 0.15 for the two components. In the crystal structure, there are no direction-specific inter­actions. Thermal studies showed that the title complex is stable to 623 K.
PMCID: PMC2915153  PMID: 21200575
10.  Di-μ-iodido-bis­[(diethyl ether-κO)(η5-1,3-di-tert-butyl­cyclo­penta­dien­yl)ytterbium(II)] 
The half-sandwich title compound, [Yb2(C13H21)2I2(C4H10O)2], crystallizes as a centrosymmetric dimer. The Yb atom is coordinated in a three-legged piano-stool geometry by a cyclo­penta­dienyl ring, two I anions and the O atom of a diethyl ether mol­ecule. The central Yb2I2 core is an approximate square.
PMCID: PMC2915154  PMID: 21200576
11.  (Acetonitrile)[bis­(2-pyridylmeth­yl)amine]bis­(perchlorato)copper(II) 
In the title compound, [Cu(ClO4)2(C12H13N3)(C2H3N)], the CuII atom is six-coordinate in a Jahn–Teller distorted octahedral geometry, with coordination by the tridentate chelating ligand, an acetonitrile mol­ecule, and two axial perchlorate anions. The tridentate ligand bis­(2-pyridylmeth­yl)amine chelates meridionally and equatorially while an acetonitrile mol­ecule is coordinated at the fourth equatorial site. The two perchlorate anions are disordered with site occupancy factors of 0.72/0.28. The amine H is involved in intra­molecular hydrogen bonding to the perchlorate O atoms and there are extensive but weak inter­molecular C—H⋯O inter­actions.
PMCID: PMC2915155  PMID: 21200577
12.  Tris(propane-1,2-diamine-κ2 N,N′)nickel(II) tetra­cyanidoplatinate(II) 
In the title compound, [Ni(C3H10N2)3][Pt(CN)4], the [Pt(CN)4]2− anion with the environment of the PtII atom, lying on a mirror plane, is square planar, whereas the NiII atom in the [Ni(C3N2H10)3]2+ cation, also lying on a mirror plane, has a slightly distorted octa­hedral coordination geometry. Three chiral 1,2-diamino­propane mol­ecules, which are disordered equally over two sets of positions, adopt Δ(δδδ) and Δ(λλλ) configurations. The average Ni—N and Pt—C bond lengths are 2.131 (10) and 1.988 (10) Å, respectively. The cations and anions are connected by N—H⋯N hydrogen bonds.
PMCID: PMC2915156  PMID: 21200578
13.  Poly[di-μ4-benzene-1,4-dicarboxyl­ato-μ6-succinato-diholmium(III)] 
The title compound, [Ho2(C4H4O4)(C8H4O4)2]n, was synthesized hydro­thermally. The Ho atom is coordinated by four O atoms from four benzene-1,4-dicarboxyl­ate (BDC) anions and four O atoms from three succinate anions, in a distorted square-anti­prismatic coordination geometry. The anti­prisms are bridged by the benzene-1,4-dicarboxyl­ate and succinate anions, into a three-dimensional coordination network. The succinate anions are located on centres of inversion.
PMCID: PMC2915157  PMID: 21200579
14.  Bis(2,2′-bipyridine)(5,5′-imino­ditetra­zolato)cadmium(II) 2,2′-bipyridine hemisolvate monohydrate 
The title complex, [Cd(C2HN9)(C10H8N2)2]·0.5C10H8N2·H2O, was prepared under hydro­thermal reaction conditions. The asymmetric unit contains the cadmium complex, half a 2,2′-bipyridine solvent mol­ecule and a solvent water mol­ecule. The CdII ion is coordinated by four N atoms from two 2,2′-bipyridine ligands and two N atoms from an HBTA− anion ligand [where H2BTA is N,N-bis­(1H-tetra­zol-5-yl)amine], forming an octa­hedral geometry. The complex is linked into a three-dimensional network by O—H⋯N and N—H⋯N hydrogen bonds and by the stacking inter­actions of rings, with distances of 3.5–3.7 Å between the atoms of two parallel 2,2′-bipyridine rings.
PMCID: PMC2915158  PMID: 21200580
15.  Bis(pyridinium) trans-tetrachlorido­dioxidouranate(VI) dioxane solvate 
In the crystal structure of the title compound, (C5H6N)2[UCl4O2]·C4H8O2, the pyridinium cations occupy general positions and the anions and the solvent dioxane mol­ecule are located on centres of inversion. The dioxane mol­ecules are connected to two symmetry-related pyridinium cations via O—H⋯O hydrogen bonding. There are additional inter­molecular C—H⋯Cl contacts, which are indicative of weak C—H⋯Cl inter­actions.
PMCID: PMC2915159  PMID: 21200581
16.  Diacetonitrile­tetra­kis{μ2-3-anilinocarbonyl-1-[(5-chloro-2-oxidophen­yl)diazen­yl]-2-naphtholato}tetra­aqua­diiron(III)disodium(I) dihydrate 
The title compound, [Fe2Na2(C23H14ClN3O3)4(C2H3N)2(H2O)4]·2H2O, is a hydrated Fe–azo complex dimer that is used as a charge-control agent in electrophotography. The mol­ecule is a centrosymmetric dimer with two octa­hedral FeIII units linked by two bridging five-coordinate NaI cations. Each FeIII atom is chelated by the N and two O atoms from two 3-anilinocarbonyl-1-[(5-chloro-2-oxidophen­yl)diazen­yl]-2-naph­tholate ligands. The Na+ cation is coordinated by a carbonyl O atom from the two ligands of each octa­hedral FeIII unit, two water mol­ecules and the N atom of an acetonitrile mol­ecule. Two solvent water mol­ecules complete the structure. In the crystal structure, the dimeric mol­ecules are bridged by a pair of discrete inter­molecular O—H⋯O hydrogen bonds, one of which involves a sodium-bound water mol­ecule and a hydrate water, and the other a 5-chloro­phenolate O atom and a water molecule to form an extended chain along b.
PMCID: PMC2915160  PMID: 21200583
17.  trans-Bis[1,2-bis­(dimethyl­phosphino)­ethane]­bromido­nitrosyl­tungsten(0) 
The crystal structure of the title compound, [WBr(NO)(C6H16P2)2], reveals a distorted octa­hedral geometry around the W centre. The W atom lies on a special position at an inversion centre (the Br and NO ligands are equally disordered). The bis­(dimethyl­phosphino)ethane ligand is also severely disordered (site occupancy factors 0.52 and 0.48). This is the first structure of a tungsten species with nitrosyl and bromide ligands.
PMCID: PMC2915161  PMID: 21200584
18.  Bis(3,5-dimethyl­pyrazole)[N-salicyl­idene-β-alaninato(2–)]copper(II) dihydrate 
In the title compound, [Cu(C10H10NO3)(C5H8N2)2]·2H2O, the CuII atom is coordinated by three N atoms and two O atoms in a distorted square-pyramidal geometry. The crystal packing is stabilized by inter­molecular O—H⋯O and N—H⋯O hydrogen bonds.
PMCID: PMC2915162  PMID: 21200585
19.  Bis[1,2-bis­(dimethyl­phosphino)­ethane]­dichloridonitro­syltungsten(0) chloride 
In the crystal structure of the title compound, [WCl2(NO)(C6H16P2)2]Cl, the seven-coordinated tungsten(II) center displays a distorted penta­gonal–bipyramidal geometry with trans nitrosyl and chloride ligands. The NO and Cl ligands are disordered over two positions; the site occupancy factors are 0.6 and 0.4.
PMCID: PMC2915163  PMID: 21200586
20.  catena-Poly[[(5-bromopyridine-3-carbox­yl­ato)dimetyltin(IV)]-μ-5-bromopyridine-3-carboxyl­ato] 
The title compound, [Sn(CH3)2(C6H3BrNO2)2], possesses an infinite chain structure owing to the presence of Sn—N bridges between adjacent mol­ecules. The SnO4NC2 centre has a distorted penta­gonal–bipyramidal geometry with the C atoms in the axial positions.
PMCID: PMC2915165  PMID: 21200589
21.  catena-Poly[bis­(sulfamethoxazolium) [[trichloridocadmate(II)]-μ-chlorido] monohydrate] 
In the title compound, {(C10H12N3O3S)2[CdCl4]·H2O}n, the CdII atom is five-coordinate with a distorted trigonal–bipyramidal geometry formed by chloride ions. The Cd atom and two of the Cl atoms lie on a mirror plane. The cation is protonated on the amino group N atom; it is not coordinated to cadmium, but is hydrogen bonded to the chlorido ligands. Each water mol­ecule bridges two chlorido ligands, generating ring motifs along the –Cd—Cl—Cd– chains. The isoxazole unit and the amide groups are linked through a pair of N—H⋯N hydrogen bonds. The crystal structure is stabilized by N—H⋯O, O—H⋯Cl, C—H⋯N, N—H⋯Cl and C—H⋯O hydrogen bonds.
PMCID: PMC2915166  PMID: 21200590
22.  Aqua­(4-hydroxy­pyridine-2,6-dicarboxyl­ato)(1,10-phenanothroline)copper(II) 4.5-hydrate 
The title compound, [Cu(C7H3NO5)(C12H8N2)(H2O)]·4.5H2O or [Cu(hypydc)(phen)(H2O)]·4.5H2O (phen is 1,10-phenanthroline and hypydcH2 is 4-hydroxy­pyridine-2,6-dicarboxylic acid), was obtained by the reaction of copper(II) nitrate hexa­hydrate with the proton-transfer compound (phenH)2(hypydc) in aqueous solution. Both the cationic and the anionic fragments of the proton-transfer compound are involved in complexation. Each CuII atom has a distorted octa­hedral geometry. It is hexa­coordinated by three O atoms and three N atoms, from one phen fragment (as bidentate ligand), one (hypydc)2− unit (as tridentate ligand) and a water mol­ecule. In the crystal structure, O—H⋯O and C—H⋯O hydrogen bonds, and π–π stacking inter­actions [centroid-to-centroid distance 3.5642 (11) Å] between the phen ring systems, contribute to the formation of a three-dimensional supra­molecular structure.
PMCID: PMC2915167  PMID: 21200591
23.  Bis(2-phenyl-4,6-di-2-pyridyl-1,3,5-triazine-κ3 N 4,N 5,N 6)ruthenium(II) bis(hexa­fluoridophosphate) 
The asymmetric unit of the title compound, [Ru(C19H13N5)2](PF6)2, consists of an RuII complex cation and two hexa­fluoridophosphate anions. The RuII atom is coordinated by three N atoms from the two outer pyridine and the central triazine rings of each of two tridentate ligands in a distorted octa­hedral environment. The ligands are approximately orthogonal to one another, with a dihedral angle of 88.34 (2)° between planes through the three six-membered rings of the two ligands. The pendant phenyl substituents are almost coplanar with the triazine rings to which they are bound, with dihedral angles of 5.41 (9) and 14.90 (10)°. This is reflected in the previously reported photophysical results with an increased lifetime of the triplet metal to ligand charge transfer (3MLCT) excited state [Fang, Taylor, Hanan, Loiseau, Passalacqua, Campagna, Nierengarten & Van Dorsselaer (2002). J. Am. Chem. Soc. 124, 7912–7913].
PMCID: PMC2915168  PMID: 21200592
24.  (η6-Benzene)(2,2′-bipyridine-κ2 N,N′)chloridoruthenium(II) chloride methanol sesquisolvate 
In the title compound, [RuCl(C6H6)(C10H8N2)]Cl·1.5CH4O, the RuII atom is in a distorted octa­hedral environment coordinated by an η6-benzene ring, a chelating 2,2′-bipyridine ligand and a chloride ion. The asymmetric unit is completed by a chloride anion and two methanol mol­ecules, one of which is disordered about a centre of inversion with an occupancy of 0.5. It is an example of a ruthenium complex with a less sterically congested environment than in similar derivatives. In the crystal structure, O—H⋯Cl hydrogen bonds, together with π–π stacking inter­actions [centroid–centroid distances of 3.472Å(2) Å], stabilize the structure.
PMCID: PMC2915169  PMID: 21200593
25.  The inorganic–organic hybrid material triethyl­enetetra­mmonium hexa­chlorido­rhodate(III) chloride 
Single crystals of the new title compound [systematic name: 1,4,7,10-tetra­zoniadecane hexa­chloridorhodate(III) chloride], [H3N(CH2)2NH2(CH2)2NH2(CH2)2NH3][RhCl6]Cl, were obtained from the corresponding amine and rhodium trichloride in hydro­chloric acid solution by slow crystallization under diffusion-controlled conditions at room temperature. Its solid-state structure is defined by a three-dimensional framework of numerous electrostatic-supported N—H⋯Cl hydrogen bonds between the ionic components of the compound. Within this framework, layered arrangements of the complex ions on one hand and of the protonated amines and chloride ions on the other hand, can be recognized. The octahedral hexa­chloridorhodate(III) anion resides on a symmetry site, while the triethyl­enetetra­mmonium cation and the chloride ion both reside on twofold axes.
PMCID: PMC2915170  PMID: 21200594

Results 1-25 (521)