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Journal logoCRYSTALLOGRAPHIC
COMMUNICATIONS
ISSN: 2056-9890

October 2018 issue

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Cover illustration: Organically templated zinc phosphites (ZnPOs) are a class of hybrid materials comprising negatively charged, polyhedral building units and organic cations (often protonated amines). Their structure consists of an inorganic open framework with different Zn:P ratios, connected to the organic moieties either via N-H...O hydrogen bonds or through direct Zn-N bonds (templating effect or ligand behaviour of the organic cation, respectively). Besides their rich structural diversities, these organic-inorganic compounds have been attracting attention for their potential applications in catalysis, separation and as functional materials. See: Holmes, Cordes, Slawin & Harrison [Acta Cryst. (2018). E74, 1411-1416].

research communications


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The title compound was synthesized by reacting diethyl malonate with 1-(4-fluoro­phen­yl)-3-methyl­but-2-en-1-one. In the crystal, the mol­ecules are joined by C—H⋯O contacts into infinite chains along the b-axis direction with a C(6) graph-set motif.

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The refined crystal structure model of iron tetra­nitride, FeN4, at 180 GPa is similar to that at 135 GPa but shows improved structural parameters in terms of bond lengths and angles.

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The complex at 100 K has monoclinic (P21/c) symmetry and a distorted tetra­hedral geometry around the nickel center, with the cyclo­octa­diene ligand coordinated in a κ22 fashion. The bidentate NHC ligand is not planar, with a C(carbene)—Ni—C(carbene) angle of 91.51 (12)°, resulting in the mesityl groups being on the same side of the cyclo­octa­diene (COD) ligand.

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To establish the scope and limitations of the IMDAV reaction by elucidation of its regio- and stereoselectivity, the products of the reaction between phenyl­maleic anhydride and thien­yl(fur­yl)allyl­amines were studied by X-ray diffraction

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The synthesis and structures of three coordination polymers composed of manganese(II) acetate and pyridine N-oxide complexes are reported. The pyridine N-oxide, 2-methyl­pyridine N-oxide, and 4-methyl­pyridine N-oxide complexes form different networks owing to the substituent group effects.

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The solution-mediated syntheses and crystal structures of catena-poly[bis­(2-amino-3-hy­droxy­pyridinium) [zinc-di-μ-phospho­nato] dihydrate], (I), and poly[(benzene-1,2-di­amine)(μ5-phospho­nato)zinc], [Zn(HPO3)(C6H8N2)]n, (II) are described. The extended structure of (I) features [010] anionic chains of vertex-sharing ZnO4 tetra­hedra and HPO3 pseudopyramids while that of of (II) features a direct Zn—N bond to the neutral 1,2-di­amino­benzene species as part of ZnO3N tetra­hedra as well as HPO3 pseudopyramids.

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In the title racemic compound, the 1,4-di­hydro­pyridine (1,4-DHP) ring adopts a flat-boat conformation, which is bis­ected by the plane of the pseudo-axial aryl ring, while the cyclo­hexa­none ring adopts an envelope conformation. In the crystal, mol­ecules are linked via N—H⋯O and C—H⋯O hydrogen bonds, forming layers parallel to (10\overline1).

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The title compound is composed of a benzene ring linked to an indazole unit by an N=N bond and has high planarity. The diazenyl group adopts a trans (E) conformation.

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The planar achiral title compound has C2v symmetry and crystallizes in the chiral space group P21.

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A structural comparative study between two chalcones was undertaken and some effects on geometrical parameters, such as planarity and dihedral angles, are described.

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The crystal structure of the complex [Mn{OOP(O-2,6-iPr2C6H3)2}(CH3OH)5]+[OOP(O-2,6-iPr2C6H3)2]·(CH3OH)3 exhibits O—H⋯O bonds between the cations, anions and non-coordinating methanol mol­ecules, forming infinite one-dimensional associates. The complex demonstrates inhibition of thermal oxidation of polydi­methyl­siloxane.

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The asymmetric unit of the title compound, fac-[Ir(C11H8N)2(C18H24N2)]Cl or fac-[Ir(ppy)2(Hppy-NC6)]Cl, contains two [Ir(ppy)2(ppy-NC6)](H+) cations, two Cl anions and a disordered solvent. In each complex mol­ecule, the IrIII ion is coordinated by two C,N-bidentate 2-(pyridin-2-yl)phenyl ligands and one C,N-bidentate N-[4-(pyridin-2-yl)benz­yl]hexan-1-aminium ligand, leading to a distorted fac-octa­hedral coordination environment. In the crystal, the mol­ecules are linked by N—H⋯Cl, C—H⋯π and π–π inter­actions, forming a three-dimensional supra­molecular structure.

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The title mol­ecule contains a central eight-membered ring, which contains an enol–ester, from which five arms extend. The arms exhibit inter­molecular inter­actions within the crystal lattice between mol­ecules of the title compound and with co-crystallized aceto­nitrile solvent mol­ecules.

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The mol­ecule adopts an E configuration at the C=C double bond. The dihedral angle between the benzene ring and the prop-1-enyl group is 25.4 (3)°. In the crystal, mol­ecules are linked via N—H⋯F hydrogen bonds, forming inversion dimers which are linked into ribbons along the b axis by C—H⋯N hydrogen bonds. The ribbons are linked by N—H⋯π and C—H⋯π inter­actions, generating a three-dimensional network.

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The title chalcone derivative is almost planar, with a dihedral angle of 7.0 (2)° between the 3,5-di­chloro-2-hy­droxy­phenyl and 5-methyl­furan rings.

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The title bis-amide derivative was obtained by the reaction between glutaric acid chloride and 2-nitro­aniline. The two benzene rings are twisted by angles of 79.14 (7) and 19.02 (14)° in the two independent mol­ecules. In the crystal, amide–amide inter­actions link the mol­ecules into chains running along b-axis direction.

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The title compound is composed of cyclo­hexane and benzene rings connected through a hydrazinecarbo­thio­amide moiety. In the crystal, the mol­ecules are connected by N—H⋯S hydrogen bonds.

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The mol­ecule is essentially planar with a maximum deviation of 0.085 Å from the mean plane through all non-H atoms. In the crystal, N—H⋯O hydrogen bonds involving the pyrrole amine and the ketone carbonyl O atoms link the mol­ecules into [100] ribbons which form offset stacks along the b axis.

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The crystal structures of two blue-emitting iridium(III) cyclo­metallates were determined and related to the photophysical properties of the complexes.

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The structural and supra­molecular features of a dihy­droxy-functionalized oct­yloxy-pillararene are discussed. In the crystal, the encapsulated 1,2-di­chloro­ethane solvent is stabilized by C—H⋯π inter­actions and mediates the formation of an inter­locked supra­molecular polymer via C—H⋯Cl inter­actions.

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The title mol­ecule adopts a helical structure, in which two 2,3′-bipyridyl units are twisted up and down relative to the plane of the central benzene ring. Weak inter­molecular C—H⋯π inter­actions lead to formation of a two-dimensional supra­molecular network. Hirshfeld surface analysis indicates that the mol­ecular packing in the title compound is mainly dominated by inter­molecular H⋯H and H⋯C/C⋯H inter­actions.

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The crystal structures of three salicyaldoxime compounds are discussed together with Hirshfeld surface and fingerprint analyses.

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The synthesis and the crystal structure of cis-2,3,5,6,2′,3′,5′,6′-octa­fluoro-4,4′-azinodi­benzoic acid with and without residual ethanol are reported.

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In each structure, the anthracene ring system and pendant ring system are almost perpendicular to each other [dihedral angles = 75.57 (7) and 70.26 (10)°]. In the extended structures, weak N—H⋯O, C—H⋯O and C—H⋯π inter­actions influence the centrosymmetric crystal packing.

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The complete mol­ecule of the title phenyl­ene-bridged bis-heterocycle, a meso compound, is generated by a crystallographic centre of symmetry.

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The title Schiff base compound displays an E configuration with respect to the C=N double bond. The benzene rings form a dihedral angle of 58.06 (9)°. In the crystal, the mol­ecules are linked by N—H⋯O and C—H⋯O hydrogen bonds into chains, which are further connected into a three-dimensional network by C—H⋯π inter­actions.

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The crystal structures of hydro­thermally synthesized (NH4)Ga(HAsO4)2 and TlAl(HAsO4)2 were solved by single-crystal X-ray diffraction. They both crystallize in the common RbFe(HPO4)2 structure type (R\overline{3}c).

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The mol­ecular conformations of the racemic title mol­ecules are almost identical. Each crystal structure features a short C—H⋯O hydrogen bond arising from the chiral carbon atom, which generates monochiral chains, although the overall structures are centrosymmetric.

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The two ring systems are twisted by 51.40 (11)°. In the crystal, the mol­ecules are linked via C—H⋯π inter­actions, forming a three-dimensional framework.

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In the crystal, the crystal packing is ordered via synergetic contributions from N—H⋯Cl, O—H⋯Cl and N—H⋯O hydrogen bonds, which together assemble the cations and anions into a three-dimensional framework.

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The title mol­ecules, pyridine-3-carboxamide and telluric acid, are inter­connected by conventional O—H⋯N, N—H⋯O and O—H⋯O hydrogen bonds of moderate strength as well as by π–π inter­actions between the pyridine rings.

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The crystal structures of the title compounds have been studied to confirm that the solid-state photochemical nitro–nitrito linkage isomerization is restricted by the reaction cavity of the nitrite ion in the thio­cyanate salt.

Research communications

Research communications are designed to help authors bring out the science behind their structure determinations. Authors are encouraged to report more than one structure in the same communication and also to include the results of investigations with other techniques. The Research communications format makes Acta E the natural home for structure determinations with interesting science to report.

Emerging Sources Citation Index

Acta E is included in the Emerging Sources Citation Index.

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