Hexa­aqua­manganese(II) bis­[5-(4-cyano­phenyl)-2H-tetrazolate]

The reaction of terephthalo­nitrile and sodium azide catalyzed by manganese chloride tetrahydrate converts one nitrile group to tetrazole and leaves the other nitrile group unchanged. The Mn^II atom in the title compound, [Mn(H₂O)₆](C₈H₄N₅)₂, is coordinated by six water mol­ecules and lies on a position of 2/m crystallographic symmetry. The plane of the tetrazolate anion is perpendicular to a crystallographic mirror plane.

Hexa­aqua­manganese(II) 5,5'-(1,4-phenyl­ene)­ditetrazolate

The hydro­thermal reaction of manganese chloride tetrahydrate and 5,5'-(1,4-phenyl­ene)­bis(1H-tetrazole) gave the title compound, [Mn(H₂O)₆](C₈H₄N₈). In the mol­ecule, the Mn^II atom is octahedrally coordinated by six water mol­ecules and is located on an inversion center. The centrosymmetric tetrazolate anion remains unligated and links to water via hydrogen bonds.

7-Amino-1H-3,1-benzothia­zine-2,4-dithione

X-ray crystal structure determination shows that the title compound, C₈H₆N₂S₃, has a highly planar molecule, packing via amino-thione hydrogen bonds.

Trideca­aqua­dinitratohexasodium(I) bis­[(trans-cyclo­hexane-1,2-diyldi­nitrilo­tetraacetato)­nickelate(II)]

In the title compound, [Na₆(NO₃)₂(H₂O)₁₃][Ni(C₁₄H₁₈N₂O₈)]₂, the edta-like tetraanionic unit uses two N and four O atoms to chelate to the Ni atom so that the [Ni(C₁₄H₁₈N₂O₈)]^2- portion of the structure has the Ni atom in a cis-N₂O₄Ni octahedral geometry. The [Na₆(NO₃)₂H₂O)₁₃]⁴⁺ portion exists as a chain consisting of edge-sharing NaO₆ octahedra; there are four independent Na atoms in the asymmetric unit. The vertices are derived from the O atoms of water mol­ecules, the O atom of the nitrate group as well as the O atoms of the [Ni(C₁₄H₁₈N₂O₈)]^2- unit. The layer structure is consolidated by hydrogen bonds into a three-dimensional network. Two of the Na atoms and three of the water O atoms lie on special positions of site symmetry 2.

A hydrated co-crystal of bis­(μ-oxo-κ²O:O)bis[aquaoxodichloro­molybdenum(VI)] with cucurbit[6]uril

Cucurbit[6]uril crystallizes with bis­(μ-oxo-κ²O:O)bis[aquaoxodichloro­molybdenum(VI)] as the 10.5-hydrate, with the formula [Mo₂O₄Cl₄(H₂O)₂]·(C₃₆H₃₆N₂₄O₁₂)·10.5H₂O. The molybdenum-bearing component inter­acts indirectly with two cryptands through the two coordinated water mol­ecules, each outer-sphere-coordination cryptand forming only one hydrogen bond with each water mol­ecule. The asymmetric unit has two cryptands, both of which lie on special positions of site symmetry. One of them encapsulates a water mol­ecule that is disordered over two general positions, whereas the other encapsulates one that lies on a centre of inversion. The solvent water mol­ecules inter­act with the dinuclear complex and with both cucurbituril molecules to form a three-dimensional network structure.

Poly­[μ₄-5-(3-carboxyl­atophenyl)-1H-tetrazolato-zinc(II)]

The title compound, [Zn(C₈H₄N₄O₂)]_n, is a coordination polymer prepared by the hydro­thermal reaction of zinc chloride and 3-(1H-tetrazol-5-yl)­benzoic acid. The zinc cation is tetrahedrally coordinated by two N atoms and two O atoms from four ligands, resulting in a three-dimensional framework encapsulating one-dimensional channels.

catena-Poly­[[[tri­aqua­zinc(II)]-μ-chloro-[aqua­cucurbit­[5]­urilpotassium(I)]] tetra­chloro­zincate(II) pentahydrate]

In the crystal structure of the title compound, [Zn{K(C₃₀H₃₀N₂₀O₁₀)(H₂O)}Cl(H₂O)][ZnCl₄]·5H₂O, the [(H₂O)₃ClZn]⁺ cation links adjacent [(C₃₀H₃₀N₂₀O₁₀)(H₂O)K]⁺ cations into a polycationic chain. The chain is surrounded by water mol­ecules and disordered [ZnCl₄]²⁻ anions and they interact to form a hydrogen-bonded layer structure. One water mol­ecule is encapsulated by the cryptand. The cryptand and the encapsulated water mol­ecule, as well as the K and Zn atoms, one coordinated water mol­ecule and one free water mol­ecule, lie on special positions of site symmetry m.

catena-Poly[[tri-μ₂-benzoato-dizinc(II)]-μ₂-hydr­oxy]

In the crystal structure of the title compound, [Zn₂(C₇H₅O₂)₃(OH)], the two Zn atoms are bridged by the carbox­yl groups of three benzoate anions. Adjacent dinuclear units are linked into a chain through the hydr­oxy groups to confer tetra­hedral geometries on the metal atoms.

Poly[[bis­[(dimeth­yl sulfoxide)zinc(II)]-di-μ₄-benzene-1,4-dicarboxyl­ato] dimeth­yl sulfoxide penta­solvate]

In the crystal structure of the title compound, [Zn₂(C₈H₄O₄)₂(C₂H₆OS)₂]·5C₂H₆OS, four independent carboxyl­ate units of the 1,4-benzene­dicarboxyl­ate groups chelate to two Zn atoms to give rise to —O—C—O—Zn...Zn— rings, the four O atoms around each zinc atom forming a square, above which is a dimeth­yl sulfoxide (DMSO) mol­ecule and below which is the other Zn atom. The bridging mode of the 1,4-benzene­dicarboxyl­ate groups, one of which lies on a general position and the other two on inversion centers, leads to a layer structure having DMSO mol­ecules between the layers. The uncoordinated solvent mol­ecules account for about 80% of the volume of the unit cell.

(S)-3-[4-(Benz­yl­oxy)phen­yl]-2-hydroxy­propanoic acid

The title compound, C₁₆H₁₆O₄, has been obtained by the reaction of O-benzyl­ated L-tyrosine with sodium nitrite as colorless blocks. The packing of the title compound exhibits two independent hydrogen bonds involving the hydr­oxy and carboxylic groups, giving rise to an infinite ladder parallel to the b axis.

7-Amino-3-(3-amino­phen­yl)-1H-quinazoline-2,4-dithione

Hydro­thermal reaction of m-phenyl­enediamine and carbon disulfide in the molar ratio 1:2 produces the title compound, C₁₄H₁₂N₄S₂. X-ray crystal structure determination shows that the compound is chiral by virtue of restricted rotation and crystallizes in a non-centrosymmetric but achiral space group, giving a racemic structure.

Poly[[tris­(μ₂-4,4′-bipyridyl-κ²N:N′)bis­(μ₂-nitrato-κ²O,O′)hexa-μ₂-oxo-dioxo­dimolybdenum­tricopper(II)] tetra­hydrate]: a polymeric hybrid framework containing Cu²⁺, 4,4-bipyridine, [MoO₄]²⁻ and NO₃⁻ building units

The hydro­thermally prepared title compound, {[Cu₃Mo₂(NO₃)₂O₈(C₁₀H₈N₂)₃]·4H₂O}_n, is a hybrid organic/inorganic polymer containing a 16-atom ring built up from molybdate anions, nitrate ions and copper cations. This inorganic network is crosslinked by infinite linear 4,4′-bpy-bridged copper chains (4,4′-bpy is 4,4'-bipyridine) to form channels along the c axis containing the disordered non-coordinated water mol­ecules.

(3S,4S)-4-Amino-5-phenyl­pentane-1,3-diol

The title compound, C₁₁H₁₇NO₂, was obtained by hydrogeno­lysis of (3S,4S)-4-(dibenzyl­amino)-5-phenyl­pentane-1,3-diol. In the crystal structure, inter­molecular O—H...O, O—H...N and N—H...O hydrogen bonds link the mol­ecules into a sheet parallel to the ab plane.