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


link to html
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.

link to html
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.

link to html
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.

link to html
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.

link to html
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.

link to html
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.

link to html
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.

link to html
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.

link to html
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.

link to html
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.

link to html
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].

link to html
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.

link to html
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.

link to html
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].

link to html
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.

link to html
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.

link to html
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.

link to html
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.

link to html
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.

link to html
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.

link to html
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).

link to html
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.

link to html
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].

link to html
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.

link to html
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.

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

link to html
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.

link to html
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).

link to html
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.

link to html
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.

link to html
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.

link to html
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.

link to html
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.

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

data reports

inorganic compounds


metal-organic compounds















organic compounds



























































Research communications

The first papers in this new format were published in July 2014. Research communications are longer papers with new text sections designed to help authors bring out the science behind their structure determinations. Figures are included in the published paper and, for the first time in Acta E, individual reports are not limited to single structure determinations. The Research communications format will make Acta E the natural home for structure determinations with interesting science to report.

Journal news

Acta E is now included in the Thomson Reuters Emerging Sources Citation Index.

ESCI

Follow Acta Cryst. E
Sign up for e-alerts
Follow Acta Cryst. on Twitter
Follow us on facebook
Sign up for RSS feeds