issue contents

Journal logoCRYSTALLOGRAPHIC
COMMUNICATIONS
ISSN: 2056-9890

May 2015 issue

Highlighted illustration

Cover illustration: Variously substituted N-aryl-4-oxo-4H-chromene-3-carboxamide derivatives present planar conformations between the carboxamide moiety and the chromone ring stabilized by intramolecular N-H...O hydrogen bonding. Despite the similarity in structures, they function differentially as h-MAO-B inhibitors, an observation correlated with the electronic moderation induced by the substituents in the exocyclic aryl ring. See: Gomes, Low, Cagide, Chavarria & Borges [Acta Cryst. (2015). E71, 547-554].

research communications


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In Na9Cr(MoO4)6 the basic structure units are isolated polyhedral clusters composed of a central CrO6 octa­hedron sharing vertices with six MoO4 to form an open (0D) framework in which the Na+ cations are oriented at the free vertices of the MoO4 tetra­hedra.

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The synthesis and crystal structure of a ZnII complex with a (3,4-di­hydro­naphthalen-1(2H-yl­idene)-N-phenyl-carbamohydrazino­thio­ate ligand is reported. The crystal structure shows DMSO mol­ecules bridging the complex units, building an one-dimensional H-bonded polymer.

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In the first reported crystal structure of the family of lithium phosphate diesters, the Li atom is in a slightly distorted tetra­hedral coordination environment and exhibits one intra­molecular O—H⋯O hydrogen bond between a coordinating methanol mol­ecule and the terminal non-coordinating O atom of the phosphate group. The unit is connected with two non-coordinating methanol mol­ecules through two inter­molecular O—H⋯O hydrogen bonds and with a neighbouring unit through two other O—H⋯O inter­actions.

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8-(Di­phenyl­phosphan­yl)quinoline (Ph2Pqn) acts as an asymmetric bidentate ligand to form a planar five-membered chelate ring in the di­chlorido­palladium(II) and -platinum(II) complexes, (SP-4)-[MCl2(Ph2Pqn)] (M = Pd or Pt), as well as in the di­chlorido­rhodium(III) complex, (OC-6-32)-[RhCl2(Ph2Pqn)2]PF6.

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The structure of the title compound is isotypic with that of the analogous nickel(II) complex, in which the CoN6 core shows an axially weakly compressed octa­hedral geometry as opposed to the almost regular geometry exhibited by the NiN6 octa­hedron.

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NaRb2(NO3)3 nitrate is the only inter­mediate compound in the system NaNO3 + RbNO3. It has, according to a thermal study, three allotropic forms. The structure of the low-temperature form is presented.

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In a Ba coordination polymer incorporating 4-nitro-2,5,6-trioxo-1,2,5,6-tetra­hydro­pyridin-3-olate, oxalate and aqua ligands, the complex monomers are connected into polymeric two-dimensional layers parallel to the bc plane. Inter­molecular O—H⋯O hydrogen bonds link these layers into a three-dimensional supra­molecular framework.

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The first crystal structure determination of a 1:2 co-crystalline adduct of 1,3,6,8-tetra­aza­tri­cyclo­[4.4.1.13,8]dodecane is presented. In the crystal, adducts are linked by C—H⋯O and C—H⋯Br hydrogen bonds, forming a two-dimensional network.

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In the title three compounds, the ring conformations of tetra­cycles are similar; each tetra­cycle adopts essentially planar, chair, half-chair and chair–chair forms. In the crystals, mol­ecules are linked into similar chains by inter­molecular hydrogen bonds.

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The title salt consists of a di­methyl­ammonium cation (Me2NH2+), an hydrogenoxalate anion (HC2O4), and half a mol­ecule of oxalic acid (H2C2O4) situated about an inversion center. They are linked together through inter­molecular hydrogen bonds, forming a two-dimensional bilayer-like self-assembly.

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In the crystal of the title salt, the 2,6-di­amino-4-oxo-1,3-di­hydro­pyrimidin-1-ium cations and the p-toluene­sulfonate anions are linked by a series of N—H⋯O hydrogen bonds, forming tunnel-like polymer chains propagating along [010].

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The asymmetric unit of the title zinc(II) coordination polymer contains two 4-nitro­benzoate (NB) anions and two nicotinamide (NA) ligands. Only one of the two NB anions and one of the two NA ligands bridge adjacent ZnII ions through eight- and 12-membered rings, respectively, forming polymeric chains running along the a-axis direction.

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The title compound shows two packing polymorphs, in which the mol­ecular structures are planar and essentially similar. One crystal shows inter­molecular C—H⋯O and π–π inter­actions, while the other crystal exhibits several modes of inter­molecular C—H⋯O inter­actions.

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The title compound crystallizes in the keto form and the carbonyl O atom forms an intra­molecular N—H⋯O hydrogen bond with the neighbouring NH group. In the crystal, mol­ecules are linked by pairs of N—H⋯O hydrogen bonds to form inversion dimers, which are linked via pairs of C—H⋯O hydrogen bonds, forming chains propagating along [100].

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In the title compound, the ring conformations of the tetra­cycle are twist, chair, half-chair and chair–boat forms. In the crystal, inter­molecular C—H⋯O and C—H⋯π inter­actions link mol­ecules to construct a three-dimensional architecture.

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The crystal structure of calcium levulinate dihydrate forms a one-dimensional coordination polymer based on a CaO8 complex unit which lies on a twofold rotation axis. This unit comprises two monodentate water O-atom donors and six carboxyl­ate O-atom donors, two of which are also bridging, from the two bidentate chelate levulinate ligands. The complex chains are stabilized by intra- and inter­molecular water O—H⋯O hydrogen bonds, forming an overall three-dimensional structure.

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In a novel one-dimensional hybrid compound, the inorganic part contains zigzag chains formed by corner-sharing [SbCl6]3− octa­hedra. 1,4-Diazo­niabi­cyclo­[2.2.2]octane dications cations are lodged around the anionic framework. Water mol­ecules play an important role in the structure connectivity.

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The high-pressure phase of SrGeO3 synthesized at 6 GPa and 1223 K adopts the ideal cubic perovskite-type structure. The Ge—O bond is largely covalent, which influences the thermal vibration behavior of the O atom.

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The crystal structure and supra­molecular features of 5-{3-[2,6-dimethyl-4-(5-methyl-1,2,4-oxa­diazol-3-yl)phen­oxy]prop­yl}-N-(11-hy­droxy­undec­yl)isoxazole-3-carboxamide hemihydrate, a derivative of anti­viral `WIN compounds', are reported.

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In each of the title compounds, the anion shows evidence of extensive electronic delocalization. A combination of N—H⋯N and X—H⋯N hydrogen bonds links the ions in (I) into a ribbon of alternating centrosymmetric R_{4}^{4}(18) and R_{4}^{4}(26) rings, and those in (II) into simple C_{2}^{1}(7) chains of alternating cations and anion with further cations pendent from the chain.

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The title compound is the first reported characterized 2:2 product from acid-catalyzed condensation of indole with cyclo­penta­none. In the crystal, mol­ecules are connected by a series of N—H⋯π and C—H⋯π inter­actions, forming slabs parallel to (010).

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N—H⋯O, N—H⋯Cl and O—H⋯O hydrogen bonds between cations and anions in the complex salt (C4H7N2)+[Sn(H2O)Cl3(C2O4)] are responsible for the formation of a three-dimensional network structure.

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The title compounds were synthesized via an Arbuzov reaction between an α-bromo­ketone and isopropoxydi­phenyl­phosphane. In the crystals of both compounds, mol­ecules are linked via bifurcated C—H⋯(O,O) hydrogen bonds, forming chains propagating along [100] and along [010].

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While attempting to synthesize a cyclo­penta­dienyl iridium complex by the reaction between IrCl3·xH2O in methanol, several well-shaped crystals formed from the reaction mixture. Surprisingly, the crystals were of di-μ-chlorido-bis­[di­chlorido­bis­(methanol-κO)iridium(III)] dihydrate, [Ir2Cl6(CH3OH)4]·2H2O. This is a surprising result in that, while many reactions of iridium chloride hydrate are carried out in alcoholic solvents, especially methanol and ethanol, this is the first structure of a chlorido-iridium compound with only methanol ligands.

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Centrosymmetric dimers with a central R_{2}^{2}(8) ring motif are formed as a result of (carbox­yl)O—H⋯O(carbox­yl) hydrogen bonds. In addition, there is an intra­molecular (hydrox­yl)O—H⋯O(carbox­yl) hydrogen-bonding inter­action.

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The solid-state structure of a disubstituted ferrocene with electrochemically active pendant groups has been determined. This is a potential chemotherapeutic drug.

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The CrIII atoms in the title compound show a distorted octa­hedral coordination with four N atoms of the cyclam ligand in the equatorial plane and two N-coordinated NCS groups in axial positions. The macrocyclic ligands adopt trans-III configurations. The crystal packing is stabilized by N—H⋯S and N—H⋯Cl hydrogen bonds.

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In the title compound, the silver atom is coordinated by two 1,3-bis­(2,6-di­methyl­phen­yl)imidazol-2-yl­idene ligands, with the imidazole rings inclined to one another by 46.69 (13)°. In the crystal, mol­ecules are linked by trifurcated C—H⋯(Cl,Cl,Cl) hydrogen bonds, forming two-dimensional networks parallel to (010).

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N-(Substituted phen­yl)-4-oxo-4H-chromene-3-carboxamides have very similar conformations but show different inhibition activities against h-MAO-B so it may be assumed that the electronic environment provided by the substituents on the phenyl ring is the primary condition for the pharmacological activities displayed by these mol­ecules.

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In the structure of bis­(2-amino-5-chloro­pyridinium) tetra­chlorido­cobaltate(II), the essentially planar cations are connected through N—H⋯Cl hydrogen bonds to the tetra­hedral anion.

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The transition metal orthophosphates Na2M2Fe(PO4)3 (M = Co, Ni) crystallize in an alluaudite-type structure. The chains characterizing the alluaudite structure are then built up from [M2O10] units alternating with [FeO6] octa­hedra.

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In the title complex, the CoII atom is located on an inversion centre and is coordinated by two 4-cyano­benzoate (CNB) anions, two nicotinamide (NA) ligands and two water mol­ecules. The four O atoms in the equatorial plane form a slightly distorted square-planar arrangement, while the slightly distorted octa­hedral coordination sphere is completed by the two N atoms of the NA ligands in the axial positions.

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The zwitterionic title compound shows a major disorder of the triiso­propyl­phenyl group over two equally occupied locations. An inter­esting feature is the uncommon hydrate structure, exhibiting a tape-like motif which can be classified as a transition of the one-dimensional T4(2)6(2) motif into the two-dimensional L4(6)5(7)6(8) motif.

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The crystal structure and supra­molecular features of 3-chloro-2-(4-methyl­phen­yl)-2H-pyrazolo­[3,4-b]quinoline are reported.

data reports

inorganic compounds


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