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Journal logoCRYSTALLOGRAPHIC
COMMUNICATIONS
ISSN: 2056-9890

July 2018 issue

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Cover illustration: This paper presents the synthesis and structure of M4Au12Ag32(p-MBA)30 bimetallic monolayer-protected clusters (MPCs), where M+ is an alkali metal counter-ion (M = Na, Cs) and p-MBA is p-mercaptobenzoic acid. By a combination of single-crystal X-ray diffraction and density-functional calculations, the structure was shown to consist of a 12 gold-atom icosahedron surrounded by a 20 silver-atom dodecahedron, forming a 32-atom excavated-dodecahedral bimetallic core capped by six equivalent Ag2(p-MBA)5 mount motifs. Comparisons with other family members have been carried out to examine the effects of heteroligands and heteroatoms on the structures of these species. See: Conn, Bhattarai, Atnagulov, Yoon, Landman & Bigioni [Acta Cryst. (2018). E74, 987-993].

research communications


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The first example of a homoleptic RuII complex with heteroaryl-imidazoles is reported in the meridional stereochemistry, exclusively. The supra­molecular hydrogen-bonded network reveals mutual N—H⋯N bonds between adjacent complexes.

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Intra­molecular C—H⋯O hydrogen bonds involving the sulfone O atoms and the carbazole moiety result in two S(6) rings. In the crystal, mol­ecules are linked via pairs of C—H⋯O hydrogen bonds forming inversion dimers with an R_{2}^{2}(12) graph-set motif.

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In the ortho­rhom­bic crystal form, the mol­ecules are linked by weak C—H⋯O hydrogen bonds into supra­molecular chains propagating along the b-axis direction.

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The crystal structures of two bulky tri­aryl­phosphines of emerging inter­est in coordination chemistry and catalysis have been determined, and the syntheses and crystal structures of their corresponding oxides are reported. Each oxide is isostructural to its corresponding phosphine.

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The L-shaped cation in the title salt arises from a nearly orthogonal disposition of the piperidin-1-ium ring with respect to the piperidin-1-ium group. Supra­molecular chains arise in the crystal as a result of O—H⋯O and N—H⋯O hydrogen bonding.

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A new quinoxalin-derived ene-di­thio­carbonate was synthesized and structurally analysed. The synthetic procedure and the compound's spectroscopic and analytical characterization are reported.

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The phenomenon of spontaneous resolution of enanti­omers occurs during the crystallization of the sodium and rubidium double salts of the transition metal complex tris­(oxalato)ferrate(III).

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The synthesis and crystal structure of a new N-substituted hydrazide are reported. In the crystal packing, O—H⋯O and N—H⋯O hydrogen bonds predominate together with π–π stacking inter­actions.

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The crystal structure of the inter­mediate product of the synthesis of phospho­rylated 5-amino-1,3-oxazol-4-yl­phospho­nic acid derivatives is reported.

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The first solid-state structures of the Na+, Li+, and NH4+ salts of the tiron dianion are reported. The structures reveal significant changes in local and long-range ionic inter­actions with variation of the cation, with consequences for fields as disparate as bioinorganic chemistry and fuel cell technologies.

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In the crystal of the title compound, mol­ecules stack head-to-tail in columns along the b-axis direction, and are linked by offset π–π inter­actions [inter­centroid distances of 3.676 (1) and 3.723 (1) Å].

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The title compound was synthesized by a one-pot Mannich condensation reaction. In the crystal, centrosymmetric dimers are linked into layers parallel to (011) by N—H⋯Cl and C—H⋯Cl hydrogen bonds. A Hirshfeld surface analysis indicates that O—H (20.5%) inter­actions make the largest contribution to the crystal packing.

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In the crystal, mol­ecules are linked by C—H⋯O hydrogen contacts, enclosing an R_{2}^{2}(14) ring motif, and by a further C—H⋯O hydrogen contact, forming a two-dimensional supra­molecular structure extending along the direction parallel to the ac plane.

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In the title naphthalene derivative, the mean plane of the naphthalene ring system makes dihedral angles of 65.24 (12)° with the di­methyl­phenyl ring and 55.82 (12)° with meth­oxy­phenyl ring. The latter two rings are inclined to each other by 59.28 (14)°.

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In the crystal structure, the cations form hydrogen-bonded zigzag chains through centrosymmetric cyclic R_{2}^{2}(8) N—H⋯N associations while the water mol­ecule acts as a double acceptor, linking the cations of the chain peripherally through amine N—H⋯O hydrogen bonds, closing cyclic R_{2}^{3}(8) motifs, and as a double O—H⋯O donor, linking the anions, giving an overall three-dimensional structure.

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In the organic cation of the title salt, the cyclo­hexane ring is in chair conformation with the two methyl­ammonium substituents in the equatorial positions. The crystal structure features extensive hydrogen-bonding inter­actions.

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The lattice parameters of apatite-type Ca2Ca8(SiO4)6O2 determined from X-ray powder diffraction data are inconsistent with those found in the literature for the same type of material. Hence the structure was redetermined and compared with previously published data.

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The mol­ecular conformation is stabilized by an intra­molecular O—H⋯N hydrogen bond. In the crystal, mol­ecules are linked by C—H⋯O hydrogen bonds, forming wave-like layers. C—H⋯π inter­actions involving the benzene rings and the methyl­ene hydrogen atoms of the morpholine rings are observed between the layers.

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The crystal structures of the title compounds consist of discrete octa­hedral complexes that are linked by inter­molecular hydrogen bonding between the complexes and additional solvate mol­ecules into three-dimensional network structures.

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In the title compound, [(tBuSiMe2O)2MoO2(2,2′-bi­pyridine)], the MoVI atom has a distorted octa­hedral environment with the sil­oxy substituents occupying the trans positions.

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The title compound is the first example of a naphtho­quinone imine derivative crystallizing in the 4-imine/2-amine tautomeric form having bulky tert-butyl substituents at the N atoms.

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The hydrido and phosphido ligands bridge the two PtII atoms to form the dinuclear complex, in which both PtII atoms are in a distorted square-planar arrangement.

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Crystals of four new copper(II) complexes containing Cu2(AcO)4 paddle-wheel units and 1-ethyl-3-methyl­imidazolium cations have been grown from ionic liquid–water mixtures and characterized by X-ray analysis. Two of the synthesized complexes are one-dimensional coordination polymers with anionic chains and counter-ions between them.

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The synthesis and structure of mixed gold/silver M4Au12Ag32(p-MBA)30 bimetallic monolayer-protected clusters is reported and compared to that of silver M4Ag44(p-MBA)30 monolayer-protected clusters (M = Na, Cs).

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In the crystal, strong O—H⋯N hydrogen bonds link the mol­ecules into supra­mol­ecular chains propagating along the c-axis direction.

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A third monoclinic polymorph of the title compound is described. In the crystal, it exhibits C—H⋯Cl hydrogen bonds and face-on Cl⋯π inter­actions involving the chloro­form disolvate mol­ecules. Inter­molecular weak offset π–π inter­actions are also present between the aromatic rings of the ligands.

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This compound crystallizes with two independent mol­ecules (A and B) in the asymmetric unit. In the crystal, the A and B mol­ecules stack head-to-tail in columns along the b-axis direction.

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The triple perovskites Ba2K2Te2O9 and Ba2KNaTe2O9 crystallize in the 6H-BaTiO3-type of structure, whereas Ba2CaTeO6 represents a double perovskite (cubic elpasolite structure type).

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Ge0.57Ti0.43O2 adopts the rutile structure type with Ge and Ti sites disordered on one position.

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In the crystal structure of the title compound the mol­ecules are coplanar and are linked into helical chains via N—H⋯N hydrogen bonding between one of the amino H atoms and the pyridine N atoms.

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The structure of the dimer bis­{tricarbon­yl[η5-tetra­meth­yl(pheneth­yl)cyclo­penta­dien­yl]molybdenum}(MoMo), [Mo2(C17H21)2(CO)6], at 102 K has triclinic (P-1) symmetry. The Mo—Mo bond length is 3.2773 (3) Å, a value slightly above the mean value for all [CpMo(CO)3]2 compounds listed in the CSD and slightly below the mean for [Cp*Mo(CO)3]2 complexes.

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The title compound has a nonplanar conformation. In the crystal, the anions are linked to the cations and the water mol­ecules by N—H⋯O and O—H⋯O hydrogen bonds, forming a three-dimensional network. Face-to-face π–π stacking inter­actions are also observed.

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In the title CoII complex, both the cation and succinate anion are located about individual inversion centres. In the crystal, the ions are linked via O—H⋯O and N—H⋯O hydrogen bonds, forming a three-dimensional framework.

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The asymmetric unit of the title pyridiniminium halide salt comprise of one cation and one anion. In the crystal, mol­ecules are linked by N—H⋯Br and C—H⋯O hydrogen bonds, C—H⋯π inter­actions, and π–π inter­actions into layers. The inter­molecular inter­actions in the crystal structure are qu­anti­fied by Hirshfeld surface analysis.

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The three cyclo­hexenone rings of the title compound adopt slightly distorted envelope conformations, with the C atom bearing two methyl groups as the flap atom in each case. In the crystal, mol­ecules are linked via C—H⋯O hydrogen bonds, forming a three-dimensional network.

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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