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The title mol­ecular salt, (C7H11N2)2[Hg2Cl6], crystallizes with two 4-(di­methyl­amino)­pyridinium cations (A and B) and two half hexa­chlorido­dimercurate(II) anions in the asymmetric unit. The organic cations exhibit essentially the same features with an almost planar pyridyl ring (r.m.s. deviations of 0.0028 and 0.0109 Å), which forms an inclined dihedral angle with the dimethyamino group [3.06 (1) and 1.61 (1)°, respectively]. The di­methyl­amino groups in the two cations are planar, and the C—N bond lengths are shorter than that in 4-(di­methyl­amino)­pyridine. In the crystal, mixed cation–anion layers lying parallel to the (010) plane are formed through N—H∙∙∙Cl hydrogen bonds and adjacent layers are linked by C—H∙∙∙Cl hydrogen bonds, forming a three-dimensional network. The analyses of the calculated Hirshfeld surfaces confirm the relevance of the above inter­molecular inter­actions, but also serve to further differentiate the weaker inter­molecular inter­actions formed by the organic cations and inorganic anions, such as π–π and ClCl inter­actions. The powder XRD data confirms the phase purity of the crystalline sample. Furthermore, the vibrational absorption bands were identified by IR spectroscopy and the optical properties were studied by using optical UV–visible absorption spectroscopy. [ABSTRACT FROM AUTHOR]

Crystals of the title compound, (C5H8N3)3[VO2(C2O4)2]·2.5H2O, a mononuclear VV complex, were obtained by slow evaporation at room temperature of an aqueous solution containing vanadium pentoxide, oxalic acid and 2,6-di­amino­pyridine. The asymmetric unit contains one bis­(oxalato)dioxovanadate(V) anionic complex, three 2,6-di­amino­pyridinium cations and two and a half uncoordinated water mol­ecules. The mononuclear vanadium(V) anions are connected to the organic cations and water mol­ecules through a strong N--H...O and O--H...O hydrogen-bond network, consolidated by π-π stacking inter­actions, to form a three-dimensional structure. [ABSTRACT FROM AUTHOR]

The title salt, C8H20N22+·2NO3-, was obtained by a reaction between 1,3-cyclohexanebis(methylamine) and nitric acid. The cyclohexane ring of the organic cation is in a chair conformation with the methylammonium substituents in the equatorial positions and the two terminal ammonium groups in a trans conformation. In the crystal, mixed cation-anion layers lying parallel to the (010) plane are formed through N-H...O hydrogen-bonding interactions; these layers are formed by infinite undulating chains running parallel to the [001] direction. The overall intermolecular interactions involved in the structure were quantified and fully described by Hirshfeld surface analysis. In addition, energy-framework calculations were used to analyse and visualize the threedimensional topology of the crystal packing. The electrostatic energy framework is dominant over the dispersion energy framework. [ABSTRACT FROM AUTHOR]

In the title mol­ecular salt, (C5H8N3)2[CoCl4], the cations are protonated at their pyridine N atoms and the anion is an almost regular tetra­hedron. The crystal structure consists of alternating inorganic layers, built from tetra­chlorido­cobaltate anions, and organic layers formed by protonated cations of 2,6-di­amino­pyridinium. The crystal packing is governed by C/N—HCl hydrogen-bonding inter­actions between the organic and the inorganic ions and ClCl inter­actions. Moreover, the cations show a π–π stacking inter­action [inter­centroid distance = 3.763 (2) Å]. The prevalence of these inter­actions is illustrated by an analysis of the three-dimensional Hirshfeld surface and by two-dimensional fingerprint plots. [ABSTRACT FROM AUTHOR]

The title compound, sodium chromium/aluminium molybdenum/aluminium dodecaoxide, Na0.72Cr0.48Al1.74Mo2.77O12, was prepared by solid-state reaction. Its crystal structure is related to NaSICON-type compounds. The framework is built up from M1O6 (M1 = Cr/Al) octahedra and M2O4 (M2 = Mo/Al) tetrahedra interconnected by corners. The three-dimensional framework contains cavities in which sodium cations are located. Two validation models (BVS and CHARDI) were used to confirm the proposed structural model. The mobility of Na+ ions in the structure has been investigated by theoretical means. [ABSTRACT FROM AUTHOR]

The synthesis of p-toluidinium perchlorate (systematic name: 4-methylanilinium perchlorate), C7H10N+.ClO4 -, was carried out from an aqueous reaction of perchloric acid with p-toluidine. This compound was characterized by powder XRD, IR and UV-Vis spectroscopy. The structure was further confirmed by a single-crystal X-ray diffraction study. The crystal structure is formed by a succession of two-dimensional molecular layers consisting of perchlorate anions and organic cations parallel to the (100) plane and located at x = 2n + ½ (n ∈ Z). Each mixed layer is formed by infinite chains {C7H10N+.ClO4 -}n parallel to the [010] direction and developing along the c axis, generating R2 4(8), R² ²(4) and R4 4(12) graph-set motifs. The results of a theoretical study using the DFT method at the B3LYP/6-311++G(d,p) level are in good agreement with the experimental data. Hirshfeld surface and fingerprint plots reveal that the structure is dominated by O. . .H/H. . .O (54.2%), H. . .H (26.9%) and C--H . . .π (14.3%) contacts. The studied crystal was refined as a two-component twin. [ABSTRACT FROM AUTHOR]

Single crystals of a new variety of tetrasodium copper(II) tris[molybdate(VI)], Na4Cu(MoO4)3, have been synthesized by solid-state reactions and characterized by single-crystal X-ray diffraction. This alluaudite structure-type is characterized by the presence of infinite layers of composition (Cu/Na)2Mo3O14 parallel to the (100) plane, which are linked by MoO4 tetrahedra, forming a three-dimensional framework containing two types of hexagonal channels in which Na+ cations reside. The Cu2+ and Na2+ cations are located at the same general site with occupancies of 0.5. All atoms are on general positions except for one Mo, two Na (site symmetry 2) and another Na (site symmetry 1) atom. One O atom is split into two separate positions with occupancies of 0.5. The title compound is isotypic with Na5Sc(MoO4)4 and Na3In2As3O12. The structure model is supported by bond-valence-sum (BVS) and charge-distribution CHARDI methods. β-Na4Cu(MoO4)3 is compared and discussed with the K4Cu(MoO4)3 and α-Na4Cu(MoO4)3 structures. [ABSTRACT FROM AUTHOR]

The title organic-inorganic hybrid salt, (C7H11N2)2[V(C2O4)2O(H2O)]?2H2O, shows a distorted octahedral coordination environment for the vanadium(IV) atom in the anion (point group symmetry 2), with four O atoms from two symmetry-related chelating oxalate dianions and two O atoms in trans configuration from a coordinating water molecule and a terminal vanadyl O atom. In the crystal, (001) layers of cations and anions alternate along [001]. The anionic layers are built up by intermolecular O--H⋯O hydrogen bonds involving the coordinating and solvent water molecules. The cationic layers are linked to the anionic layers via N--H⋯O hydrogen bonds between the pyridinium group and the non-coordinating O atoms of the oxalate group. The 4-(dimethylamino)pyridinium cations are also engaged in &#960-π stacking with their antiparallel neighbours [centroid-to-centroid distance = 3.686 (2) Å]. Considering all supramolecular features, a three-dimensional network structure is accomplished. [ABSTRACT FROM AUTHOR]

The title compound, nonasodium chromium(III) hexakis[molybdate(VI)], β-Na9-CrMo6O24, was prepared by solid-state reactions. This alluaudite-type structure is constituted of infinite layers formed by links between M2O10 (M = C/Na) dimers and MoO4 tetrahedra. The Na+ and Cr3+ cations are located in the same site with, respectively, 0.25 and 0.75 occupancies. The layers are connected to each other through MoO4 sharing corners, resulting an in open three-dimensional framework with hexagonal-form cavities occupied by Na+ cations. The proposed structural model is supported by charge-distribution (CHARDI) and bond-valence-sum (BVS) analysis. All atoms are on general positions except for one Mo, two Na (site symmetry 2) and another Na site (site symmetry 1). A comparison is made with the similar structures Na4Co(MoO4)3, Na2Ni(MoO4)2, Cu1.35Fe3(PO4)3 and NaAgFeMn2(PO4)3. [ABSTRACT FROM AUTHOR]

The title compound, sodium chromium/aluminium molybdenum/aluminium dodecaoxide, Na0.72Cr0.48Al1.74Mo2.77O12, was prepared by solid-state reaction. Its crystal structure is related to NaSICON-type compounds. The framework is built up from M1O6 (M1 = Cr/Al) octahedra and M2O4 (M2 = Mo/Al) tetrahedra interconnected by corners. The three-dimensional framework contains cavities in which sodium cations are located. Two validation models (BVS and CHARDI) were used to confirm the proposed structural model. The mobility of Na+ ions in the structure has been investigated by theoretical means. [ABSTRACT FROM AUTHOR]