issue contents

ISSN: 2056-9890

January 2016 issue

Highlighted illustration

Cover illustration: In connection to the venom Neosurugatoxin (from the edible shellfish, Babylonia Japonica), three variously substituted cyclopenta[c]furans have been characterized. In two structures, crystallography reveals the importance of an intramolecular O-H...O hydrogen bond across the bicyclic 5,5-ring system which impacts upon the conformations of the fused five-membered rings. See: Jones, Storey & Harrison [Acta Cryst. (2016). E72, 44-48].


research communications

Acta Cryst. (2016). E72, 1-3
doi: 10.1107/S2056989015020836
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The structure of the title salt, {(C5H14N3)[CdCl3]}n, consists of infinite zigzag polyanionic 1[CdCl4/2Cl1/1] chains held together by tetra­methyl­guanidinium cations through N—H⋯Cl hydrogen bonds, leading to a layered structure parallel to (010).

Acta Cryst. (2016). E72, 4-7
doi: 10.1107/S2056989015022720
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The mol­ecular structure of a mononuclear CuII complex coordinated by hepta­fluoro­butanoic acid, 1,10-phenanthroline and a water mol­ecule is described.

Acta Cryst. (2016). E72, 8-13
doi: 10.1107/S2056989015022781
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The crystal structures of two chromone derivatives are described, one of which has two independent mol­ecules in the asymmetric unit. A comparison of the dihedral angles between the mean planes of the central chromone core with those of the substituents shows that each mol­ecule differs significantly from the others.

Acta Cryst. (2016). E72, 14-16
doi: 10.1107/S2056989015022835
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In the cation of the title compound, [Pt2(COD)2F(SbF6)2]SbF6·0.75HF, a fluorine atom bridges two platinum atoms. Each platinum atom is furthermore surrounded by a COD ligand and one fluorine atom of the octa­hedral SbF6 anion.

Acta Cryst. (2016). E72, 17-20
doi: 10.1107/S2056989015022975
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The title complex is one of the few structurally characterized coordination compounds of an organotin(IV) trihalide with 2,2′-biypridine. Its distorted octa­hedral geometry shows a meridional arrangement of the I atoms and the methyl group is in-plane with the five-membered chelate ring. Directional inter­molecular inter­actions are restricted to weak I⋯H van der Waals contacts.

Acta Cryst. (2016). E72, 21-24
doi: 10.1107/S2056989015023269
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In the title coordination polymer, [Co(C3H3O4)Cl(H2O)]n, the sixfold coordination environment of the CoII atom consists of two O atoms from a chelating hydrogen malonate anion (HMal), one O atom originating from a μ2-bridging malonate ligand (HMal), one O atom from a water mol­ecule and two μ2-bridging Cl atoms, connecting neighbouring Co2Cl4 motifs into a two-dimensional polymer extending parallel to (001). Inter­layer O—H⋯O hydrogen bonds link the layers into a three-dimensional network.

Acta Cryst. (2016). E72, 25-30
doi: 10.1107/S205698901502318X
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The crystal structures of poly[bis­(μ2-4,4′-bi­pyridine N,N′-dioxide-κ2O:O′)trinitratocerium(III)] and its isostructural praseodymium and neodymium analogues feature a 44 grid-like layered structure with inter­digitation of layers promoted by C—H⋯O inter­actions between nitrate anions and 4,4′-bi­pyridine N,N′-dioxide ligands.

Acta Cryst. (2016). E72, 31-34
doi: 10.1107/S2056989015023245
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The cyclo­hexenone ring in the title compound adopts an envelope conformation and in the crystal, mol­ecules are linked by N—H⋯O and C—H⋯N hydrogen bonds, forming ribbons of edge-fused rings propagating along [010].

Acta Cryst. (2016). E72, 35-39
doi: 10.1107/S2056989015023373
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The crystal structures of three complexes of zinc chloride with tri-tert-butyl­phosphane are reported.

Acta Cryst. (2016). E72, 40-43
doi: 10.1107/S2056989015023348
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The low-temperature structure of bis­(di­ethyl­ammonium) tetra­chlorido­cuprate is reported. The complex exhibits thermochromism and has a two-dimensional hydrogen-bonded network through N—H⋯Cl hydrogen bonds.

Acta Cryst. (2016). E72, 44-48
doi: 10.1107/S2056989015023506
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The mol­ecular conformations of three highly substituted cyclo­penta­[c]furans appear to correlate strongly with different intra­molecular O—H⋯O and C—H⋯O inter­actions.

Acta Cryst. (2016). E72, 49-52
doi: 10.1107/S2056989015023683
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The first structure with coordinates of tris­(trans-1,2-di­amino­cyclo­hexa­ne)cobalt(III) chloride monohydrate in the space group I\overline{4}2d is reported.

Acta Cryst. (2016). E72, 53-55
doi: 10.1107/S2056989015023518
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The title 1:1 co-crystal, butyl­paraben–isonicotinamide [BPIN, butyl 4-hy­droxy­benzoate isonicotinamide (1/1)], crystallizes with one mol­ecule each of butyl­paraben and isonicotinamide. In the crystal, various BPN and ISN mol­ecules are linked via O—H⋯N, N—H⋯O and N—H⋯O=C hydrogen bonds, creating a layered structure.

Acta Cryst. (2016). E72, 56-59
doi: 10.1107/S2056989015023786
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The inorganic part of the crystal structure of the 1-D hybrid compound (C4N2H12)2[PbI5]I·H2O contains corner-sharing [PbI6]4− octa­hedra running as zigzag chains along the a axis. The organic (piprazineH2)2+ cations are lodged around the anionic framework. Water mol­ecules and isolated iodine ions play an important role in the structure connectivity.

Acta Cryst. (2016). E72, 60-62
doi: 10.1107/S2056989015023701
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The mol­ecular and crystal structure of N-{4-[(6-chloro­pyridin-3-yl)meth­oxy]phen­yl}-2,6-di­fluoro­benzamide is reported. The crystal packing is stabilized by N—H⋯N, C—H⋯O, C—H⋯F and C—H⋯π hydrogen bonds supplemented by offset π–π stacking inter­actions.

Acta Cryst. (2016). E72, 63-65
doi: 10.1107/S2056989015024007
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K0.7[FeII3.7FeIII1.3(HPO3)6]·5H2O was synthesized under mild hydro­thermal conditions. The open-framework phosphite contains channels extending along [001] in which disordered potassium cations and water mol­ecules are located.

Acta Cryst. (2016). E72, 66-68
doi: 10.1107/S2056989015023439
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The title cobalt(II) complex consists of a CoCl2 moiety linked to the terminal N atoms of two dimethyl N-cyano­dithio­imino­carbonate mol­ecules which leads to an overall distorted tetra­hedral configuration around the CoII atom. Weak C—H⋯Cl and C—H⋯S hydrogen-bonding inter­actions consolidate the packing of the structure.

Acta Cryst. (2016). E72, 69-72
doi: 10.1107/S2056989015023154
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A combination of O—H⋯N hydrogen bonds and C—Cl⋯π(pyrid­yl) inter­actions links the mol­ecules of the title compounds into (100) sheets.

Acta Cryst. (2016). E72, 73-75
doi: 10.1107/S2056989015023919
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The crystal structure of tris­(di­methyl­amido)­bis­(di­methyl­amine) zirconium(IV) iodide is reported.

Acta Cryst. (2016). E72, 76-82
doi: 10.1107/S2056989015024068
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The components of the 2:1 co-crystal are linked by hy­droxy-O—H⋯N(pyrid­yl) hydrogen bonds into a three-mol­ecule aggregate having the shape of the letter Z. These are connected into a supra­molecular ladder by tight amide-N—H⋯O(nitro) hydrogen bonds.

Acta Cryst. (2016). E72, 83-86
doi: 10.1107/S2056989015024147
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The asymmetric unit of the title compound contains two crystallographically unique copper complexes. In each complex, the Cu atom is bound to two chloride ligands and to three N atoms of the 2-(4-tri­fluoro­methyl­benzyl­idene­amino)­ethyl­amine-bis­(2–2amino­eth­yl)amine ligand to give a distorted square-based pyramidal geometry in which the axial Cu—Cl bond is elongated, indicative of Jahn–Teller distortion. A Cu atom from a symmetry-related mol­ecule is in nearby proximity to the remaining axial Cu site, thus the overall geometry about each Cu atom could be described as being between distorted square-based pyramidal and very elongated Jahn–Teller-distorted octa­hedral.

Acta Cryst. (2016). E72, 87-91
doi: 10.1107/S205698901502397X
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The crystal structure of catena-[(μ3-formato)(μ4-oxalato)terbium(III)] features a three-dimensional 12-connected fcu topology with point symbol (324.436.56), exhibiting thermal stability up to 623 K and strong green photoluminescence in the solid state at room temperature.

Acta Cryst. (2016). E72, 92-95
doi: 10.1107/S2056989015024214
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The mol­ecular structure of 3-ferrocenyl-N-phenyl­pyrrole, [Fe(η5-C5H4cC4H3NPh)(η5-C5H5)] has an L-type shape, with the N-phenyl­pyrrole moiety fused with the cycla­penta­dienyl ring being approximately coplanar.

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The Mn2+ ion in [Mn(bdc)(Hspar)2(H2O)0.25]·2H2O (Hspar = sparfloxacin and bdc = benzene-1,4-di­carboxyl­ate) is coordinated by two O,O′-bidentate Hspar neutral mol­ecules (which exist as zwitterions) and an O,O′-bidentate bdc dianion to generate a distorted MnO6 trigonal prism. In [Cu(Hspar)2](bdc)·2H2O,the Cu2+ ion lies on a crystallographic inversion centre and a CuO4 square-planar geometry arises from its coordination by two O,O′-bidentate Hspar mol­ecules. The bdc dianion acts as a counter-ion to the cationic complex and does not bond to the metal ion.

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The crystal packing of the FeII porphyrin derivative results in channels parallel to [010] where the n-hexane solvent mol­ecules are located. UV–vis data of a CHCl3 solution and the solid of the title compound are also reported.

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The reaction of 1-naphthol with cyclo­hexa­diene in the presence of catalytic amounts of Lewis acid, which inter­acts with 1-naphthol with release of protons, does not afford the Diels–Alder adduct but the Friedel–Crafts products followed by aromatization. The crystal structure of the final tetra­hydro­benzo­naphtho­furan product is described.

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.


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