Acta crystallographica. Section C, Crystal structure communications最新文献

The crystal structure of chlorido{μ-2-[(2-oxidobenzylidene)amino]ethanolato-κ(4)O,N,O':O'}{2-[(2-oxidobenzylidene)amino]ethanolato-κ(3)O,N,O'}trivinylditin(IV), [Sn2(C2H3)3(C9H9NO2)2Cl], is disordered above 178 K. A doubling of the unit-cell volume is observed on cooling. The asymmetric unit at 93 K contains two ordered molecules. The phase transition corresponds to an order-disorder transition of one vinyl group bound to the Sn(IV) atom.

In the title complex, [Ag2Cd(CN)4(C12H12N2)2]·H2O or cis-[Cd{Ag(CN)2}2(5,5'-dmbpy)2]·H2O, where 5,5'-dmbpy is 5,5'-dimethyl-2,2'-bipyridyl, the asymmetric unit consists of a discrete neutral [Cd{Ag(CN)2}2(5,5'-dmbpy)2] unit and a solvent water molecule. The Cd(II) cation is coordinated by two bidentate chelate 5,5'-dmbpy ligands and two monodentate [Ag(I)(CN)2](-) anions, which are in a cis arrangement around the Cd(II) cation, leading to an octahedral CdN6 geometry. The overall structure is stabilized by a combination of intermolecular hydrogen bonding, and Ag(I)···Ag(I) and π-π interactions, forming a three-dimensional supramolecular network.

The structure of the title compound, {[Mg(C4H7O2)2(H2O)3]·H2O}n, features one-dimensional ···(μ2-ib)Mg(μ2-ib)Mg··· zigzag chains (ib is isobutyrate) parallel to the c axis. The octahedral Mg environment is completed by three fac-oriented terminal water ligands, as well as one further monodentate end-on coordinated ib ligand. In the crystal structure, the hydrophobic ib groups are all oriented within one half of the coordination perimeter of each chain, whereas the water ligands, together with hydrogen-bonded noncoordinated solvent water molecules, define the other half. Along the a axis, neighbouring strands are oriented so that both the hydrophilic and hydrophobic sides are adjacent to each other. This results in an extensive hydrogen-bonding network within the hydrophilic areas, also involving an additional solvent water molecule per formula unit. There are van der Waals contacts between the aliphatic isopropyl groups of the hydrophobic areas.

Dilithium tetragermanate is orthorhombic, space group P2(1)ca, at 298 K, and is thus in a polar and probably a ferroelectric state. The structure contains two independent Li, four Ge and nine O atoms, all on general positions with site symmetry 1. Three tetrahedrally coordinated Ge positions form crumpled crankshaft-like chains, forming sheets within the ac plane, and these are interconnected by the fourth, octahedrally coordinated, Ge sites along the b direction. The GeO4 tetrahedra and GeO6 octahedra form a three-dimensional framework containing two different cavities, hosting the two 4+1-coordinated Li sites. Cooling to 90 K does not alter the space-group symmetry; the tetrahedral chains behave as a rigid unit and changes occur mainly within the Li coordination spheres.

The title compound, C16H12N4S, forms a three-dimensional layered network structure via intermolecular hydrogen bonding and π-stacking. The azomethine molecule adopts the thermodynamically stable E regioisomer and the pyridine substituents are antiperiplanar. The mean planes of the pyridine rings and the azomethine group to which they are connected are twisted by 27.27 (5) and 33.60 (5)°. The electrochemical energy gap of 2.3 eV based on the HOMO-LUMO energy difference is in agreement with the spectroscopically derived value.

The asymmetric unit in the structure of the title compound, [K2(C9H4O9S)(H2O)2]n, consists of two eight-coordinated K(I) cations, one 2,4-dicarboxy-5-sulfonatobenzoate dianion (H2SBTC(2-)), one bridging water molecule and one terminal coordinated water molecule. One K(I) cation is coordinated by three carboxylate O atoms and three sulfonate O atoms from four H2SBTC(2-) ligands and by two bridging water molecules. The second K(I) cation is coordinated by four sulfonate O atoms and three carboxylate O atoms from five H2SBTC(2-) ligands and by one terminal coordinated water molecule. The K(I) cations are linked by sulfonate groups to give a one-dimensional inorganic chain with cage-like K4(SO3)2 repeat units. These one-dimensional chains are bridged by one of the carboxylic acid groups of the H2SBTC(2-) ligand to form a two-dimensional layer, and these layers are further linked by the remaining carboxylate groups and the benzene rings of the H2SBTC(2-) ligands to generate a three-dimensional framework. The compound displays a photoluminescent emission at 460 nm upon excitation at 358 nm. In addition, the thermal stability of the title compound has been studied.

The title compound, C17H11F5N4O, is described and compared with two closely related analogues in the literature. There are two independent molecules in the asymmetric unit, linked by N-H···O hydrogen bonds and π-π interactions into dimeric entities, presenting a noticeable noncrystallographic C2 symmetry. These dimers are in turn linked by a medium-strength type-I C-F···F-C interaction into elongated tetramers. Much weaker C-H···F contacts link the tetramers into broad two-dimensional substructures parallel to (101).

The aminophosphane ligand 1-amino-2-(diphenylphosphanyl)ethane [Ph2P(CH2)2NH2] reacts with dichloridotris(triphenylphosphane)ruthenium(II), [RuCl2(PPh3)3], to form chloridobis[2-(diphenylphosphanyl)ethanamine-κ(2)P,N](triphenylphosphane-κP)ruthenium(II) chloride toluene monosolvate, [RuCl(C18H15P)(C14H16NP)2]Cl·C7H8 or [RuCl(PPh3){Ph2P(CH2)2NH2}2]Cl·C7H8. The asymmetric unit of the monoclinic unit cell contains two molecules of the Ru(II) cation, two chloride anions and two toluene molecules. The Ru(II) cation is octahedrally coordinated by two chelating Ph2P(CH2)2NH2 ligands, a triphenylphosphane (PPh3) ligand and a chloride ligand. The three P atoms are meridionally coordinated, with the Ph2P- groups from the ligands being trans. The two -NH2 groups are cis, as are the chloride and PPh3 ligands. This chiral stereochemistry of the [RuCl(PPh3){Ph2P(CH2)2NH2}2](+) cation is unique in ruthenium-aminophosphane chemistry.

Zolmitriptan hydrogen oxalate [(S)-dimethyl(2-{5-[(2-oxo-1,3-oxazolidin-4-yl)methyl]-1H-indol-3-yl}ethyl)azanium hydrogen oxalate], C16H22N3O2(+)·C2HO4(-), (I), and zolmitriptan camphorsulfonate [(S)-dimethyl(2-{5-[(2-oxo-1,3-oxazolidin-4-yl)methyl]-1H-indol-3-yl}ethyl)azanium (S,R)-{2-hydroxy-7,7-dimethylbicyclo[2.2.1]heptan-1-yl}methanesulfonate], C16H22N3O2(+)·C10H15O4S(-), (II), are the first reported salt complexes of the antimigraine drug zolmitriptan. Compound (I) crystallizes in the space group P2(1) with two molecules of protonated zolmitriptan and two oxalate monoanions in the asymmetric unit, while compound (II) crystallizes in the space group P2(1)2(1)2(1) with one protonated zolmitriptan molecule and one camphorsulfonate anion in the asymmetric unit. The orientations of the ethylamine side chain and the oxazolidinone ring with respect to the indole ring of the zolmitriptan cation are different for (I) and (II). In (I), they are oriented in opposite directions and the molecule adopts a step-like appearance, while in (II) the corresponding side chains are folded in the same direction, giving the molecule a cup-like appearance. The zolmitriptan molecules of (I) form an R2(2)(8) dimer, while in (II) they form a helical chain with a C(11) motif. The oxalate monoanions of (I) interact with the zolmitriptan cations and extend the dimer into a three-dimensional hydrogen-bonded network. In (II), the camphorsulfonate anion forms an R2(2)(15) ring motif with the zolmitriptan cation.