issue contents

Journal logoSTRUCTURAL
CHEMISTRY
ISSN: 2053-2296

May 2018 issue

Highlighted illustration

Cover illustration: Vibrational analysis of a platinum-spermine complex (Pt2Spm) was carried out using optical (Raman and FT-IR) and neutron-based (INS) spectroscopies coupled to quantum mechanical methods. Pt2Spm is a potential new anti­cancer drug, with promising results against low-prognosis metastatic human breast cancer. See Batista de Carvalho, Parker, Batista de Carvalho & Marques [Acta Cryst. (2018), C74, 628-634].

research papers


link to html
Three types of chain structures are realized in three reported organolead(IV) arsinates and phosphinates.

link to html
A new polymorph of rubidium copper trichloride (RbCuCl3) has been synthesized via chemical vapour transport (CVT). The crystal structure is based upon the octa­hedral framework of the 4H perovskite type. The structural complexity of the RbCuCl3 polymorphs is discussed.

link to html
A biotransformed mol­ecule has been studied using various spectroscopic techniques. Its crystal structure has been refined using the classical independent atom model, as well as by using the transferred electron-density parameters from an electron-density database. The results of the various refinements have been compared. Structure–property relationships have been described based on the calculation of electron-density-derived properties.

link to html
Two polymorphic forms of DOTAM-mono-acid dihydrate were characterized. Potentiometry was used to compare the solution conformation to the crystal structure.

link to html
The structures of a new packing polymorph of Mg(O-2,6-tBu2-4-MeC6H4)2(THF)2 and of a dimeric complex [Al(CH3)(O-2,6-tBu2-4-MeC6H4)(μ2-OCH2COOC2H5)]2 have been determined. The structure of [Zn7(C2H5)63-OCH2Ph)8], possessing a bicubic Zn7O8 core, has been redetermined. The complexes have been tested as catalysts (Al and Zn) and as a precatalyst (Mg) for the ring-opening polymerization of ∊-caprolactone.

link to html
Tetra­hydro­tetra­zoles are a little-explored class of five-membered heterocycles with four contiguous singly-bonded N atoms. Their attempted synthesis via N—N bond formation between two suitably-substituted urazole rings led to the unanti­cipated formation of a novel octa­aza­cyclo­decane ring system.

link to html
The mol­ecular structures of three natural di­hydro-β-agaro­furan sesquiterpenes isolated from Maytenus boaria are reported and their hydrogen-bonded three-dimensional crystal structures discussed.

link to html
An analogue of adenosine diphosphate (ADP), i.e. adenosine hypodiphosphate (AhDP), was synthesized and crystallized in the form of two sodium salts, Na5(H2AhDP)3(HAhDP)·24H2O and Na(H4AhDP)(H3AhDP)(H2AhDP)2·15H2O, which were structurally characterized for a conformational comparison with ADP. Two adenine (Ade) hypodiphosphate salts, i.e. (AdeH)2(H2P2O6)·2H2O and (AdeH)2(H2P2O6), were used as model systems to analyse nucleobase–hypodiphosphate inter­action modes.

link to html
The mol­ecular [Cu(ccnm)Cl(biq)]·acn complex (acn is aceto­nitrile, biq is 2,2′-bi­quinoline and ccnm is carbamoyl­cyano­nitro­somethanide) was obtained as a result of nucleophilic addition of water to the di­cyano­nitro­somethanide ion in the presence of CuII and biq. The spectral and magnetic properties of the complex were investigated.

link to html
The crystal structures of three isomorphous methanol solvates of rare-earth tris­[bis­(2,6-diiso­propyl­phen­yl) phosphato]lanthanide complexes, [Ln{O2P(O-2,6-iPr2C6H3)2}3(CH3OH)5]·CH3OH (Ln = La, Ce and Nd), exhibiting intra- and inter­molecular O—H⋯O hydrogen bonds, have been studied. The complexes demonstrate catalytic activity in 1,3-diene polymerization (for the Nd complex) and in the inhibited thermal oxidation of polydi­methyl­siloxane (for the Ce complex).

link to html
A new two-dimensional coordination polymer based on 2,2′-(1,2-phenyl­ene)bis­(1H-imidazole-4,5-di­carb­oxy­lic acid) (H6Phbidc) have been prepared and structurally characterized. The polymer exhibits a two-dimensional structure, in which the H4Phbidc2− anions coordinate to MnII ions in a hexa­dentate mode.

link to html
N,N,N-Trimethyl-5-[(2,3,5,6-tetra­fluoro­phen­oxy)carbon­yl]pyridin-2-aminium tri­fluoro­methane­sulfonate (PyTFP-precursor) is required for the synthesis of 2,3,5,6-tetra­fluoro­phenyl 6-[18F]-fluoro­nicotinate ([18F]FPyTFP), a prosthetic group used to radiolabel peptides for positron emission tomography (PET). During the synthesis of PyTFP-precursor, displacement of a Cl atom with tri­methyl­amine gas and anion replacement with a triflate counter-ion occurs.

link to html
The architectures constructed from N—H⋯O hydrogen bonds are discussed for the first structures of an optical isomeric pair in the phospho­ric tri­amide family.

link to html
The crystal structure of the recently reported La3TiBi5 phase is refined for the first time from single-crystal X-ray diffraction data. Structural analysis and first-principles calculations show the presence of undistorted linear Bi chains with hypervalent bonding.

link to html
The ternary compounds Nb0.92(1)NiAs, NbCoAs, and NbNiGe were synthesized serendipitously by reactions employing mixtures of alkali metal, Co, Ni, As, and Ge, which were carried out at high temperatures in sealed Nb containers.

link to html
Vibrational analysis of a platinum–spermine complex (Pt2Spm) was carried out using optical (Raman and FT–IR) and neutron-based (INS) spectroscopies coupled to quantum mechanical methods. Pt2Spm is a potential new anti­cancer drug, with promising results against low-prognosis metastatic human breast cancer.

link to html
A new diterpene with a rare six/five/seven-membered carbon-ring system has been isolated from the plant Isodon amethystoides (Lamiaceae) and its structure and pharmacological activities determined. A possible biosynthetic pathway has been proposed for this compound.

link to html
The crystal structure of RbMn4(PO4)3, which was synthesized hydro­thermally, has been refined in the space group Pnnm (D2h12). At low temperatures, the compound orders into a canted anti­ferromagnetic state with finite spontaneous magnetization.

book reviews



Special and virtual issues

Acta Crystallographica Section C has recently published special issues on

NMR Crystallography (March 2017)

Scorpionates: a golden anniversary (November 2016)

Full details are available on the special issues page.

The latest virtual issue features Coordination polymers, with an introduction by Len Barbour.

What are the 'most read' articles from the recent special issues?

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