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Journal logoCRYSTALLOGRAPHIC
COMMUNICATIONS
ISSN: 2056-9890

December 2015 issue

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Cover illustration: The compound C19H22N2O3 is the 5-bromopyrimidine derivative of Parthenolide (PTL). PTL has been isolated from several different plant species, feverfew leaf (Tanacetum parthenium) being one of the major sources. It is a sesquiterpene lactone known to significantly target cancer stem cells. In order to obtain detailed information on the structural conformation of the title compound, including assignment of the absolute configuration of the four stereocentres, and to establish the geometry of the exocyclic double bond, a single crystal X-ray structure determination has been carried out. See: Bommagani, Penthala, Parkin & Crooks [Acta Cryst. (2015). E71, 1536-1538].

research communications


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In the solid-state, bis-p-anizidinegossypol exists in the enamine or quinoid form. The naphthyl moieties are close to perpendicular [dihedral angle = 72.08 (5)°]. In the crystal, mol­ecules are linked by O—H⋯O hydrogen bonds, generating layers which surround channels occupied by disordered guest mol­ecules.

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The cyclo­pentane ring displays a twist conformation and the γ-lactone ring has an envelope conformation while the cyclo­heptane ring adopts a twist-chair conformation. O—H⋯O hydrogen bonds link the mol­ecules, forming a three-dimensional network. A comparison between the structural parameters obtained by X-ray structure analysis and theoretical calculations give a satisfactory agreement.

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The mol­ecular structure of the title complex is composed of a central benzene ring with 3-di­methyl­quinoxalin-6-yl groups at the 1 and 3 positions. There are inter­molecular π–π inter­actions which result in a two-dimensional extended structure. The layers extend parallel to the ab plane and stack along the c axis.

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The title compound, C23H25N3O, crystallized with one single mol­ecule in the asymmetric unit and present in the zwitterionic form. In the crystal, mol­ecules are connected by N—H⋯O hydrogen bonds generating –A–B–A–B– zigzag chains extending along [010]. The chains are linked via C—H⋯π inter­actions and π–π inter­actions [with a centroid–centroid distance of 3.444 (3) Å)] between the benzene ring and the imino group of symmetry-related mol­ecules, forming slabs lying parallel to (100).

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The structure of the title compound can be described as a three-dimensional network of FePO4N2 octa­hedra resulting from corner-sharing with four PO4 tetra­hedra and bonding with two trans-arranged hydrazine mol­ecules.

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In the crystal structure of 2,2′′-bis­(2,7-di­chloro-9-hy­droxy-9-fluoren­yl)-1,1′:4′,1′′-terphenyl as the tris­(tri­ethyl­amine) solvate, the diol host mol­ecule possesses a `folded' mol­ecular conformation with inversion symmetry. Two of the three solvent mol­ecules form O—H⋯N hydrogen bonds and the third one forms C—H⋯N hydrogen bonds with the host compound.

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A novel mixed hydrogen sulfate–sulfate piperidinium salt comprises three protonated piperidinium cations, one hydrogen sulfate anion and one sulfate anion in the asymmetric unit. Strong hydrogen bonds exist between the cations and the anions giving rise to a three-dimensional structure.

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Two copper(II) complexes, a dinuclear and a hexa­nuclear complex with bridging hydroxyl and nitrate ligands, were obtained from reaction of copper nitrate with di­hydroxy­bipyridine at neutral and slightly acidic pH. Formation of multi-nuclear complexes contrasts with the equivalent sulfate compounds which formed discrete mononuclear complexes. The complexes feature intra­molecular and inter­molecular hydrogen bonding.

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In the crystal, mol­ecules pack in a centrosymmetric fashion and inter­act via a mixture of weak π–π stacking inter­actions, weak C—H⋯O hydrogen bonding, and Br⋯Br halogen bonding. This induces a geometry quite different than that predicted by theory.

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In the structures of two ErIII compounds with 4-amino­benzoic acid and 4-chloro-3-nitro­benzoic acid, discrete centrosymmetric bridged dinuclear complex units are present giving an overall three-dimensional hydrogen-bonded structure in the first complex and a one-dimensional coordination polymer in the second.

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Three complexes synthesized by coordination of chiral imines to HgCl2 have been characterized, in which the tetra­hedral HgII centre has a geometry strongly distorted towards the disphenoidal geometry.

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The crystal structure of the title compound contains discrete [{Na(H2O)2}2(μ-H2O)2(μ-pzdo)]2+ (pzdo is pyrazine N,N′-dioxide) cations, tetra­phenyl­borate anions and uncoordinating water and pzdo mol­ecules, held together by various hydrogen-bonding and C—H⋯π and O—H⋯π inter­actions.

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In this manuscript the mol­ecular and supra­molecular structure of 2′,3,6′-tri­chloro­biphenyl-2-ylboronic acid tetra­hydro­furan monosolvate is presented

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The title complex is composed of saddle-shaped mol­ecules which closely inter­act in a pairwise fashion through π–π and C—H⋯π contacts to form `dimers'. These `dimers' further inter­act through C—H⋯S and C—H⋯π contacts to construct a complex three-dimensional extended structure.

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The structures of [Re2Br2(O2CC3H7)4] and [Re2(O2CC3H7)4Cl2]·2CH3CN are reported here. Both complexes, crystallized from aceto­nitrile and diethyl ether, exhibit paddlewheel conformations with quadruple bonds between the Re atoms.

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The title compound crystallized with two independent mol­ecules in the asymmetric unit. In the crystal, mol­ecules are linked by weak intra- and inter­molecular C—H⋯O and C—H⋯π inter­actions, forming chains along the b axis.

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3,5-Bis[(E)-3-hy­droxy­benzyl­idene]-1-methyl­piperidin-4-one and the 2-chloro­benzyl­idene derivative are monocarbonyl analogues of curcumin, and the conformations of the two compounds are very similar. In the 3-hy­droxy­benzyl­idene compound, O—H⋯O, O—H⋯N and C—H⋯O hydrogen bonds link the mol­ecules, forming sheets lying parallel to the ac plane. In the crystal of the 2-chloro­benzyl­idene derivative, mol­ecules are linked via weak C—H⋯Cl hydrogen bonds, forming zigzag chains along the [204] direction.

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In di­chlorido­bis­(1,3-diazinane-2-thione-κS)cadmium(II), the CdII atom is bound to two chloride anions and two thione ligands via their S atoms. The geometry around the CdII atom is distorted tetra­hedral, with the bond angles in the range 101.61 (3)–118.00 (3)°. Intra­molecular N—H⋯Cl hydrogen-bonding inter­actions stabilize a butterfly syn mol­ecular conformation.

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In the title compound, the MoVI cation is located on a mirror plane and has a distorted tetra­hedral coordination geometry. The Mo≡N bond length is 1.633 (6) Å.

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The title compound, crystallized with two conformationally similar mol­ecules (A and B) in the asymmetric unit. In the crystal, individual mol­ecules are linked by pairs of O—H⋯O hydrogen bonds, forming AA and BB inversion dimers with R_{2}^{2}(12) ring motifs.

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The mol­ecular and crystal structures of two isomeric bis­(iodo­meth­yl)benzene derivatives are reported. A comparison is made of the inter­molecular contacts stabilizing the packing in the two closely related systems.

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The central di­hydro­pyran ring of the compound shows an envelope conformation. In the crystal, O—H⋯O hydrogen bonds link the mol­ecules into supra­molecular chains propagating along the a-axis direction.

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A stable oxopiperidinium trication salt was synthesized. In the crystal, N—H⋯Cl, C—H⋯Cl and C—H⋯O hydrogen bonds link cations and anions into a three-dimensional network.

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The title compounds, (I) and (II), differ only in the substituent on the N atom of the central piperidine ring; methyl in (I) and benzyl in (II). In each mol­ecule, the 4,11-dihy­droxy groups are involved in intra­molecular O—H⋯O hydrogen bonds. In the crystal of (I), mol­ecules are linked via O—H⋯N hydrogen bonds, forming chains along the b-axis direction. In the crystal of (II), mol­ecules are linked via O—H⋯O hydrogen bonds, forming inversion dimers with an R_{4}^{4}(8) ring motif.

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In the crystal structure of the title compound, the sulfonamide N—H group forms an inter­molecular hydrogen bond to the amine N atom.

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The asymmetric unit of the title compound comprises two independent mol­ecules which exist in the trans conformation with respect to the methene C= C and the acyclic N=C bonds. In the crystal, mol­ecules are linked via N—H⋯N hydrogen bonds, forming chains along the b-axis direction.

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In the title compound, the pyrrolidine and cyclo­hexane rings exhibit envelope and chair conformations, respectively. In the crystal, C—H⋯O inter­actions connect the mol­ecules into tape structures.

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The homoleptic triply-ligated cation in two silyl chloride salt solvates of 1-oxo-2-pyridinone is found to co-crystallize as a mixture of fac and mer isomers. A related silyl cation of 1-oxo-2-pyridine­thione is found as the fac isomer.

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The title mol­ecule possesses ten-, five- (lactone) and three-membered (epoxide) rings with a pyrimidine group as a substituent. The ten-membered ring displays an approximate chair–chair conformation, while the lactone ring shows a flattened envelope-type conformation.

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In the crystal of the title racemic compound, enanti­omers aggregate with each other and are linked by O—H⋯N hydrogen bonds to form chiral 21-helical columnar structures from C(5) chains along the b-axis direction.

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The title compound is a substituted 2,2-di­methyl­tetra­hydro­furo[2,3-d][1,3]dioxole. The furan­ose ring adopts an envelope conformation, close to C3-exo, as does the fused dioxolane ring. In the crystal, mol­ecules are linked by weak C—H⋯O hydrogen bonds, forming zigzag chains along [010].

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In the title compound, there is an intra­molecular O—H⋯N hydrogen bond forming an S(9) ring motif. In the crystal, mol­ecules are linked via C—H⋯O hydrogen bonds forming inversion dimers with an R44(10) ring motif. The dimers are linked by C—H⋯N hydrogen bonds, forming ribbons along [01-1].

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The binary compound Ca4As3crystallizes in the Ba4P3 structure type and is thus a homologue of isotypic Sr4As3. The As atoms are connected by a single bond thus this calcium arsenide is a Zintl phase.

data reports

metal-organic compounds