Acta Crystallographica Section E: Crystallographic Communications最新文献

The benzimidazole and anthracene moieties in the title compound, C₂₁H₁₄N₂, are oriented at a dihedral angle of 46.00 (2)°. In the crystal, N-H⋯N hydrogen bonds link the mol-ecules into infinite chains along the b-axis direction. In addition, C-H⋯π inter-actions contribute to the consolidation of the packing. A Hirshfeld surface analysis of the crystal structure indicates that the most important contributions to the crystal packing are from H⋯H (47.2%) and H⋯/C⋯H (39.4%) inter-actions. An energy-framework calculation indicates that the electrostatic and dispersion energies are the most important contributors to the packing.

The synthesis and crystal structure of an unprecedented compound, zinc phospho-rus hepta-chloride or catena-poly[phospho-rus tetra-chloride [[di-chlor-ido-zinc]-μ-chlorido]], ZnPCl₇ or {[PCl₄][ZnCl₃]} _n , are reported. The reaction of ZnCl₂ with PCl₅ in a 1:1 molar ratio at 623 K produced single crystals of ZnPCl₇, which crystallizes in the ortho-rhom-bic space group Ama2. The Zn and P atoms lie on crystallographic mirror planes, as do four of the Cl atoms. One Cl atom lies on a twofold axis and one occupies a general position. Its extended structure features isolated [PCl₄]⁺ tetra-hedra and one-dimensional chains of corner-sharing ZnCl₂Cl_2/2 tetra-hedra. Bond-valence sum calculations support the assignment of formal oxidation states. This discovery extends the compositional and structural landscape of mixed-metal halides.

The title compound, [Mn(H₂dondc)(H₂O)₄] _n or [Mn(C₁₂H₆O₆)(H₂O)₄] _n , was synthesized by the reaction of manganese(II) chloride (MnCl₂), 1,5-dihy-droxynaphthalene-2,6-di-carb-oxy-lic acid (H₄dondc) and lithium hydroxide (LiOH). The asymmetric unit comprises half of an Mn^II ion, half of a 1,5-dihy-droxynaphthalene-2,6-di-carboxyl-ate dianion (H₂dondc^2-) and two water mol-ecules. The Mn^II ion is located on a crystallographic inversion center and exhibits a six-coordinated MnO₆ octa-hedral geometry. The octa-hedron is comprised of two oxygen atoms from the two H₂dondc^2- ligands and four oxygen atoms from the water mol-ecules. The carboxyl-ate group and naphthalene moiety lie almost coplanar to each other and show a monodentate coordination to the Mn^II ion. The planar H₂dondc^2- ligands bridge Mn^II ions to form a one-dimensional chain along the diagonal direction of the b and c axes. In the crystal, there are two types of intra-chain hydrogen-bonding inter-actions. The first is between the phenolic hydroxyl groups and carboxyl-ate groups. The phenolic hydroxyl groups of the ligand are protonated and act as intra-chain hydrogen-bonding donors to coordinated oxygen atoms of the carboxyl-ate groups. The other is between coordinated water mol-ecules and non-coordinated oxygen atoms of the carboxyl-ate groups. The parallel chains are connected not only by inter-chain hydrogen-bonding inter-actions between coordinated water mol-ecules and phenolic hydroxyl groups but also by inter-chain hydrogen-bonding inter-actions between coordinated water mol-ecules to give two-dimensional networks. The chains are further connected by inter-chain π-π stacking inter-actions between the naphthalene moieties.

The hexa-gonal host-guest title compound, poly[hexa-kis-[[di-methyl-tin(IV)]-di-μ-fluorido] potassium iodide], {[Sn(CH₃)₂F₂]₆·KI} _n or (Me₂SnF₂)₆·KI, represents a layer structure of distorted {Me₂SnF_4/2} octa-hedra corner-linked via μ₂-bonding fluorine atoms. Distortion of the octa-hedra concerns not only bond lengths [d(Sn-C) = 2.089 (2) Å, d(Sn-F) = 2.077 (1)/2.080 (1), 2.252 (1)/2.266 (1) Å] but also bond angles [〈(C-Sn-C) = 162.2 (1)°, 〈(F-Sn-F) = 77.11 (7)-119.57 (5)°] giving rise to a irregular quadrilateral, pseudo-equatorial plane of fluorine atoms around the central tin atom. In the planar (001) layers, the octa-hedra are arranged according to a snub hexa-gonal tiling (sr{3,6}) resulting in small trigonal and larger hexa-gonal pores. The latter are occupied by potassium ions [d(F⋯K) = 2.702 (2) Å, 6×], which in turn form linear rods with iodine ions [d(K⋯I) = 3.6702 (2) Å, 2×) perpendicular to adjacent layers.

In the title compound, [Cu(C₁₁H₁₅N₃S₂){P(C₆H₅)₃}₂]NO₃·CCl₄, the carbon tetra-chloride solvent mol-ecule is presumed to have originated as an impurity in the chloro-form solvent used. The coordination environment around the copper(I) ion is a distorted CuNSP₂ tetra-hedron, with a τ₄ structural index of 0.844. In the extended structure, the cation and anion are linked by an N-H⋯O hydrogen bond. Along with electrostatic forces, C-H⋯N, C-H⋯S and C-H⋯O hydrogen bonds help to consolidate the crystal packing.

In the title compound, [Cd(N₃)₂(C₁₀H₉N₃)] _n , the cadmium(II) ion displays a distorted CdN₆ octa-hedral geometry arising from one bidentate ligand and four azide ions and forms zigzag polymeric [100] chains via the bridging azide ions, both of which show μ_1,1 (end-on) coordination. Adjacent chains are linked into layers via N-H⋯N hydrogen bonds. Hirshfeld surface analysis was used to qu-antify the inter-molecular inter-actions.

The crystal structures and Hirshfeld surface analyses of two similar azo compounds are reported. (E)-1-[2,2-di-chloro-1-(2,3-di-meth-oxy-phen-yl)ethen-1-yl]-2-phenyl-diazene, C₁₆H₁₄Cl₂N₂O₂, (I), crystallizes in space group P2₁/c with Z = 4, and (E)-1-(4-chloro-phen-yl)-2-[2,2-di-chloro-1-(2,3-di-meth-oxy-phen-yl)ethen-1-yl]diazene, C₁₆H₁₃Cl₃N₂O₂, (II), in the space group P1 with Z = 4. In the crystal structure of (I), the mol-ecules form layers parallel to the (010) plane through C-H⋯π and C-Cl⋯π inter-actions and van der Waals inter-actions between these layers consolidate the packing. There are two symmetry-independent mol-ecules in the asymmetric unit of (II). In the crystal, mol-ecules are connected by C-H⋯O and C-H⋯Cl hydrogen bonds, forming a three-dimensional network. C-Cl⋯π inter-actions also contribute to the packing. The inter-molecular contacts in the crystals (I) and (II) were analysed using Hirshfeld surface analysis and two-dimensional fingerprint plots.

In the title compound tris-[4-(3,4-di-meth-oxy-thio-phen-2-yl)phen-yl]amine (DMOT-TPA), C₃₆H₃₃NO₆S₃, the central nitro-gen atom shows no pyramidalization, with the three para-phenyl-ene rings arranged in a propeller-like geometry. Each thio-phene ring is twisted by about 25-29° relative to the adjacent phenyl-ene ring, giving a distorted π-conjugated framework. In the crystal, mol-ecules are linked through multiple C-H⋯π inter-actions into two-dimensional sheets, which extend into a three-dimensional network. A Cambridge Structural Database survey revealed no prior examples of tri-phenyl-amines bearing 3,4-di-meth-oxy-thio-phen units at the para positions. This unique structure provides new insights into the design of redox-active organic materials.

One of the title compounds, the chiral Schiff base (S)-(-)-1-(4-chloro-phen-yl)-N-[(pyridin-2-yl)methyl-idene]ethan-1-amine (C₁₄H₁₃ClN₂) crystallizes in the monoclinic Sohncke space group P2₁ with one mol-ecule in the asymmetric unit. The ligand is obtained by condensation of (S)-(-)-1-(4-chloro-phen-yl)ethan-1-amine with 2-pyridine-carboxaldehyde. Its palladium(II) chloride complex, cis-di-chlorido-{(S)-(-)-1-(4-chloro-phen-yl)-N-[(pyridin-2-yl)methyl-idene]ethan-1-amine-κ² N,N'}palladium(II), [PdCl₂(C₁₄H₁₃ClN₂)], crystallizes in the ortho-rhom-bic Sohncke space group P2₁2₁2₁, with one mol-ecule in the asymmetric unit. The central Pd^II atom adopts a slightly distorted square-planar coordination environment, defined by two nitro-gen donors (pyridyl-N and imine-N) and two chlorido ligands in a cis arrangement.

In the crystal structure of the title compound, C₂₂H₂₄ClNO₂, the piperidine ring adopts a boat conformation. Intra- and inter-molecular C-H⋯Cl hydrogen bonds are observed. The inter-molecular inter-actions were qu-anti-fied and analysed using Hirshfeld surface analysis, revealing that H⋯H inter-actions contribute most to the crystal packing (56.1%).