issue contents

Journal logoCRYSTALLOGRAPHIC
COMMUNICATIONS
ISSN: 2056-9890

January 2017 issue

Highlighted illustration

Cover illustration: [Cu(ClO4)(cyclen)]ClO4[Cu(ClO4)(cyclen)]ClO4 (cyclen = 1,4,7,10-tetraazacyclododecane, C8H20N4), prepared without solvent molecules of crystallization, exhibits a square-pyramidal CuN4O coordination geometry for the metal ion, with a perchlorate-O atom occupying the apical site. An N-H...O hydrogen bond from one of the cyclen NH groups reinforces the linkage between the Cu2+ ion and the anion. See: Gray, Gerlach & Papish [Acta Cryst. (2017). E73, 31-34].

research communications


link to html
The title crystal is a co-crystal with the 1,8-naphthyridine derivative crystallizing with one mol­ecule of succinimide per formula unit. In the crystal, the two mol­ecules are mutually linked by N—H⋯O and N—H⋯N hydrogen bonds. The packing is consolidated by C—H⋯(O,N) hydrogen bonds and π–π stacking inter­actions.

link to html
The title compound crystallizes with two independent centrosymmetric dimers in the unit cell, each featuring a typical pincer-type structure where the dianionic ligand is tetra­dentate, coordinating to the central tin atom through both phenolate oxygen atoms, as well as through the quinoline and imine N atoms. Each metal atom adopts a distorted penta­gonal–bipyramidal SnC2N2O3 coordination arising from the N,N′,O,O′-tetra­dentate deprotonated Schiff base and two butyl groups in the axial sites.

link to html
The first example of an NiII complex containing an σ-dimerized TCNQ–TCNQ unit is presented, with a C—C bond length of 1.653 (11) Å. In addition, the σ-dimerized TCNQ–TCNQ unit (refined 75% occupancy) is disordered, forming also a less populated pair of TCNQ mol­ecules (25% occupancy) with tightly π-stacked di­cyano­methanide groups.

link to html
The conformation of the title compound is cone-shaped, partially determined by short intra­molecular C—H⋯O contacts. In the crystal, mol­ecules are linked via C—H⋯O and C—H⋯F hydrogen bonds and C—H⋯π inter­actions, forming a three-dimensional supra­molecular structure.

link to html
The ZnII ion in the title compound shows a distorted square-pyramidal coordination geometry with three N atoms of the chiral S-ppme ligand and two N atoms of the thio­cyanate anions. In the crystal, mol­ecules are connected by hydrogen bonds and π–π inter­actions, forming a two-dimensional supra­molecular network parallel to the bc plane.

link to html
In the title compounds, the thio­semicarbazone group adopts an extended conformation, and there is a short N—H⋯N contact present forming an S(5) ring motif. In the crystals of both compounds, mol­ecules are linked by pairs of N—H⋯S hydrogen bonds, forming dimers with R_{2}^{2}(8) ring motifs.

link to html
In the crystal, the coordination dimers are linked via N—H⋯O, N—H⋯N and C—H⋯O hydrogen bonds and π–π stacking inter­actions into a two-dimensional framework parallel to (100).

link to html
In the title structure, the CdII atom is located on a twofold rotation axis and is coordinated by two I atoms and two N atoms of two carboxyl­ate groups of two planar N′-[(E)-4-hy­droxy­benzyl­idene]pyridine-4-carbohydrazide ligands. N—H⋯O, O—H⋯O, C—H⋯O and C—H⋯I hydrogen bonding assembles the mol­ecules into a three-dimensional network.

link to html
The crystal structure of (perchlorato-κO)(1,4,7,10-tetra­aza­cyclo­dodecane-κ4N)copper(II) perchlorate is reported. The crystal was grown from a solution of methanol at ambient temperature which resulted in no co-crystallization of solvent.

link to html
The title compound, N-(4-chloro­phen­yl)-5,7-dimethyl-1,2,4-triazolo[1,5-a]pyrimidin-2-amine, was synthesized by cyclization of 1-(4,6-di­methyl­pyrimidin-2-yl)-4-phenyl­thio­semicarbazide in the presence of Ni(NO3)2. In the crystal, mol­ecules form inversion dimers via pairs of N—H⋯N hydrogen bonds, which are packed into layers by π-stacking inter­actions between the aromatic systems of neighbouring mol­ecules.

link to html
In the title compound, the hy­droxy group forms a intra­molecular hydrogen bond to the imine N atom and generates an S(6) ring motif. The conformation about the C=N bond is E, and the aromatic ring of the julolidine moiety is inclined to the benzene ring by 3.74 (14)°.

link to html
The mononuclear title complex contains a chloride, a 1-(4-nitro­phen­yl)thio­urea and two tri­phenyl­phosphane ligands, leading to a tetra­hedrally arranged ClP2S coordination set. N—H⋯Cl and C—H⋯O hydrogen bonds connect the mol­ecules into a three-dimensional network.

link to html
In the title compound, C16H9ClO4, the dihedral angle between the coumarin ring system [maximum deviation = 0.023 (1) Å] and the benzene ring is 73.95 (8)°.

link to html
In the title compound, which was prepared using a hydro­thermal reaction between 2,2′-bi­pyridine, cadmium(II) chloride and potassium 1,1,3,3-tetra­cyano-2-eth­oxy­propenide, the complex cations are linked into sheets by C—H⋯Cl hydrogen bonds.

link to html
In the title compound, the CuI atom is coordinated by two S atoms and two I atoms in a distorted tetra­hedral mode.

link to html
In the title compound, the dihedral angle between the mean planes of the coumarin and β-carboline ring systems is 63.8 (2)°. In the crystal, mol­ecules are linked via N—H⋯N hydrogen bonds, forming chains along the [010] direction.

link to html
The mol­ecular and crystal structure of the title imidazole derivative is reported. The structure is stabilized by an extensive O—H⋯N, C—H⋯O/Cl and C—H⋯π(ring) hydrogen-bonding network.

link to html
In the crystal structures of title compounds, two identical protonated dextromethorphan cations are connected to tetra­chlorido­cobaltate (or tetra­chlorido­cuprate) anions via strong N—H⋯Cl hydrogen bonds, forming neutral ion associates


link to html
The asymmetric unit of the title compound comprises of one complex cation, one half of a Cr2O72− anion and one half of a water mol­ecule. The CrIII ion has a distorted octa­hedral coordination by four N atoms of the cyclam ligand and by two N-bonded NCS groups in cis positions; the conformation of the dichromate anion is staggered.

link to html
The solid-state structure of the title salt, [H3N(CH2)6NH3][(HO)O2P(CH2)6PO2(OH)], possesses a herringbone motif as a consequence of the inter­play of strong hydrogen bonds and non-covalent inter­actions.

link to html
The crystal structure of a homocoupled compound with absolute configuration 3aR,3′aR,7aS,7′aS was determined. The mol­ecule contains two similar moieties composed of two fused rings. Its supra­molecular structure is controlled mainly by C—H⋯O inter­actions.

link to html
A new isoxazolidine has been obtained by 1,3-dipolar cyclo­addition of a nitrone and phenyl vinyl sulfone

link to html
The synthesis and structure of a rare example of a trigonal–bipyramidal titanium coordination complex with three chlorides and two oxygen donor ligands is reported.

link to html
The crystal structure of dirubidium hydrogen citrate has been solved and refined using laboratory X-ray powder diffraction data, and optimized using density functional techniques.

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