Melaminium acetate acetic acid solvate monohydrate

The crystals of the title new melaminium salt, 2,4,6‐tri­amino‐1,3,5‐triazin‐1‐ium acetate acetic acid solvate monohydrate, C₃H₇N₆⁺·CH₃COO^?·CH₃COOH·H₂O, are built up from singly protonated melaminium residues, acetate anions, and acetic acid and water mol­ecules. The melaminium residues are interconnected by N—H?N hydrogen bonds to form chains along the [010] direction. These chains of melaminium residues form stacks aligned along the a axis. The acetic acid mol­ecules interact with the acetate anions via the H atom of their carboxylic acid groups and, together with the water mol­ecules, form layers that are parallel to the (001) plane. The oppositely charged moieties interact via multiple N—H?O hydrogen bonds that stabilize a pseudo‐two‐dimensional stacking structure.     

Hexakis(melaminium) tetrakis(dihydrogenphosphate) monohydrogenphosphate tetrahydrate

The crystal structure of the new melaminium salt, hexa­kis(2,4,6‐tri­amino‐1,3,5‐triazin‐1‐ium) tetrakis­(di­hydrogenphos­phate) mono­hydrogenphosphate tetrahydrate, 6C₃H₇N₆⁺·4H₂PO₄^?·HPO₄^2?·4H₂O, is built up from singly protonated melaminium residues, di­hydrogenphosphate and mono­hydrogen­phosphate anions, and water mol­ecules. The melaminium residues are interconnected by four N—H?N hydrogen bonds, forming chains along the [001] direction. These chains of melaminium residues form stacks aligned along [100]. The di­hydrogenphosphate anions interact with the mono­hydrogenphosphate anions via the H atoms and, together with hydrogen‐bonded dimers of the water mol­ecules, develop layers parallel to the (010) plane. The oppositely charged moieties interact via multiple N—H?O hydrogen bonds that stabilize the stacking structure.     

Bis­(melaminium) dl‐malate tetrahydrate

The crystal structure of the title melaminium salt, bis(2,4,6‐tri­amino‐1,3,5‐triazin‐1‐ium) dl ‐malate tetrahydrate, 2C₃H₇N₆⁺·C₄H₄O₅²⁻·4H₂O, consists of singly protonated melaminium residues, dl ‐malate dianions and water mol­ecules. The melaminium residues are connected into chains by four N—H⃛N hydrogen bonds, and these chains form a stacking structure along the c axis. The dl ‐malate dianions form hydrogen‐bonded chains and, together with hydrogen‐bonded water mol­ecules, form a layer parallel to the (100) plane. The conformation of the malate ion is compared with an ab initio molecular‐orbital calculation. The oppositely charged moieties, i.e. the stacks of melaminium chains and hydrogen‐bonded dl ‐malate anions and water mol­ecules, form a three‐dimensional polymeric structure, in which N—H⃛O hydrogen bonds stabilize the stacking.     

Melaminium glutarate monohydrate

The crystal structure of the title new melaminium salt, 2,4,6‐tri­amino‐1,3,5‐triazin‐1‐ium glutarate monohydrate, C₃H₇N₆⁺·C₅H₇­O₄^?·H₂O, is built up from singly protonated melaminium residues, mono‐dissociated glutarate ions and water mol­ecules. The melaminium residues are interconnected by four N—H?N hydrogen bonds to form chains. These chains of melaminium residues form a stacking structure. The glutarate anions form a hydrogen‐bonded zigzag polymer of the form [?HOOC(CH₂)₃COO?HOOC(CH₂)₃COO?]_n. The oppositely charged moieties, i.e. the melaminium and glutarate chains, form two‐dimensional polymeric sheets. These sheets are interconnected by O—H?O hydrogen bonds between the COO^? moieties and the water mol­ecules, and these hydrogen bonds stabilize the stacking structure.     

Melaminium maleate monohydrate

In the title compound, 2,4,6‐tri­amino‐1,3,5‐triazin‐1‐ium maleate monohydrate, C₃H₇N₆⁺·C₄H₃O₄⁻·H₂O, containing singly protonated melaminium residues, maleate(1−) anions and water mol­ecules, the components are linked by hydrogen bonds into a three‐dimensional framework structure. The melaminium residues are connected by two pairs of N—H⋯N hydrogen bonds into chains in the form of stacks, with a distance of 3.26 (1) Å between the triazine rings, clearly indicating π–π interactions. The maleate anion contains an intramolecular O—H⋯O hydrogen bond and the anions interact with the water mol­ecules via O—H⋯O hydrogen bonds, forming zigzag chains, also in the form of stacks, in which the almost‐planar maleate anions are separated by 3.26 (1) Å. The experimental geometries of the ions are compared with molecular‐orbital calculations of their gas‐phase geometries.     

Bis­(melaminium) sulfate dihydrate

The crystals of a new melaminium salt, bis(2,4,6-tri­amino-1,3,5-triazin-1-ium) sulfate dihydrate, 2C₃H₇N₆⁺·SO₄²⁻·2H₂O, are built up from monoprotonated melaminium(1+) residues, sulfate(2−) anions and water mol­ecules. The SO₄²⁻ ion has a slightly distorted tetrahedral geometry. The melaminium residues are interconnected by N—H⋯N hydrogen bonds, forming chains. The chains of melaminium residues develop a three-dimensional network through multiple donor–acceptor hydrogen-bond interactions with sulfate anions and water mol­ecules.     

Melaminium bis(4‐hydroxybenzenesulfonate) dihydrate

The crystals of a new melaminium salt, 2,4,6‐tri­amino‐1,3,5‐triazine‐1,3‐diium bis(4‐hydroxy­benzene­sulfonate) dihydrate, C₃H₈N₆²⁺·2C₆H₅O₄S^?·2H₂O, are built up from doubly proton­ated melaminium(2+) residues, dissociated p‐phenol­sulfonate anions and water mol­ecules. The doubly protonated melaminium dication lies on a twofold axis. The hydroxyl group of the p‐hydroxybenzenesulfonate residue is roughly coplanar with the phenyl ring [dihedral angle 13 (2)°]. A combination of ionic and donor–acceptor hydrogen‐bond interactions link the melaminium and p‐hydroxybenzenesulfonate residues and the water mol­ecules to form a three‐dimensional network.     

2‐[6‐(1H‐Benzimidazol‐2‐yl)‐2‐pyridyl]‐1H‐benzimidazol‐3‐ium perchlorate monohydrate

The title compound, C₁₉H₁₄N₅⁺·ClO₄^?·H₂O, contains planar C₁₉H₁₄N₅⁺ cations, perchlorate anions and water mol­ecules. The two closest parallel cations (plane‐to‐plane distance of 3.41 Å), together with two neighbouring perchlorate anions and two water mol­ecules, form an electrically neutral quasi‐dimeric unit. Two acidic H atoms of the cation, both H atoms of the water mol­ecule, the N atoms of the imidazole rings and three of the four O atoms of the perchlorate anion are involved in the hydrogen‐bonding network within the dimeric unit. The remaining third acidic H atom of the imidazole rings and the water mol­ecules complete a two‐dimensional network of hydrogen bonds, thus forming puckered layers of dimers. The angle between the planes of two neighbouring dimeric units in the same layer is 33.25 (3)°.     

Two crystals of doubly protonated melaminium salts: melaminium bis­(trifluoro­acetate) trihydrate and melaminium bis­(trichloro­acetate) dihydrate

Crystals of 2,4,6‐triamino‐1,3,5‐triazine‐1,3‐dium bis­(trifluoro­acetate) trihydrate, C₃H₈N₆²⁺·2CF₃COO⁻·3H₂O, and 2,4,6‐triamino‐1,3,5‐triazine‐1,3‐dium bis­(trichloro­acetate) dihydrate, C₃H₈N₆²⁺·2CCl₃COO⁻·2H₂O, both contain doubly protonated melamine rings that lie on crystallographic twofold axes. In the former structure, one water mol­ecule also lies on a twofold axis. While the trifluoro­acetate compound crystallizes in a centrosymmetric space group, the trichloro­acetate is non‐centrosymmetric, so it is useful as a material for non‐linear optics. The efficiency of second harmonic generation is about three times greater than that of KDP (KH₂PO₄). A combination of ionic and donor–acceptor hydrogen‐bond inter­actions link the melaminium(2+) residues with trifluoro­acetate or trichloro­acetate ions and water mol­ecules to form a three‐dimensional network.     

A structural hierarchy in the hydrogen‐bonded adduct ethane‐1,2‐di­phospho­nic acid–4,4′‐bipyridyl–water (1/1/2): an N‐component N‐­dimensional structure (N = 3) with substructures having N = 1 and 2

The title compound, 4,4′‐bipyridinium ethane‐1,2‐diyl‐1,2‐di­phospho­nate dihydrate, is a hydrated salt, C₁₀H₁₀N₂²⁺·­C₂H₆O₆P₂^2?·2H₂O, in which the components are linked by extensive hydrogen bonding. The cations and anions lie on inversion centres and with the water mol­ecules each form separate one‐component one‐dimensional chains along [100]: the anions and the water mol­ecules form a two‐component two‐dimensional substructure, (001) sheets, while the cations and anions form a second two‐component two‐dimensional substructure, (011) sheets. All three components combine to form a three‐dimensional framework.     

(6R*,16R*)‐9,14‐Dihydro‐6‐methyl‐6,16‐methano‐6H,16H‐[2,4]benzothiazepino[3,4‐d][1,3,5]benzoxadiazocine hydrobromide dimethylformamide hemisolvate

The title compound, C₁₉H₁₉N₂OS⁺·Br^?·0.5C₃H₇NO, is an oxygen‐bridged phenyl­pyrimidine derivative in which the heterocyclic ring is protonated, the positive charge being dispersed over both of the N atoms. Both mol­ecules in the asymmetric unit exist in an identical conformation, which consists of a central planar portion with the two terminal phenyl rings protruding from the same side of the plane. One of the independent mol­ecules forms a strong hydrogen bond with the bromide anion, while the other is hydrogen bonded to the di­methyl­form­amide solvent mol­ecule.     

Supra­molecular hydrogen‐bonding networks in bis­(adeninium) phthalate phthalic acid 1.45‐hydrate

In the title compound, 2C₅H₆N₅⁺·C₈H₄O₄²⁻·C₈H₆O₄·1.45H₂O, the asymmetric unit comprises two adeninium cations, two half phthalate anions with crystallographic C₂ symmetry, one neutral phthalic acid mol­ecule, and one fully occupied and one partially occupied site (0.45) for water mol­ecules. The adeninium cations form N—H⋯O hydrogen bonds with the phthalate anions. The cations also form infinite one‐dimensional polymeric ribbons via N—H⋯N inter­actions. In the crystal packing, hydrogen‐bonded columns of cations, anions and phthalate anions extend parallel to the c axis. The water mol­ecules crosslink adjacent columns into hydrogen‐bonded layers.     

Chlor­amine‐B sesquihydrate

In the title compound, sodium N‐chloro­benzene­sulfon­amide sesquihydrate, Na⁺·C₆H₅ClNO₂S^?·1.5H₂O, the sodium ion exhibits octahedral coordination by O atoms from three water mol­ecules and by three sulfonyl O atoms of three different N‐­chloro­benzene­sulfon­amide anions. A two‐dimensional polymeric layer consists of units, each comprising two face‐sharing octahedra which share four corners with four other such units, the layer running parallel to the ab plane. The water mol­ecules participate in hydrogen bonds of the types O—H?O, O—H?N and O—H?Cl.     

Moxifloxacinium chloride–water–methanol (2/1/1), a novel anti­bacterial agent

Moxifloxacin, a novel fluoro­quinolone with a broad spectrum of anti­bacterial activity, is available as the solvated monohydro­chloride salt 7‐[(S,S)‐2‐aza‐8‐azoniabicyclo­[4.3.0]non‐8‐yl]‐1‐cyclo­propyl‐6‐fluoro‐8‐meth­oxy‐4‐oxo‐1,4‐dihydroquinoline‐3‐carboxylic acid chloride–water–methanol (2/1/1), C₂₁H₂₅FN₃O₄⁺·Cl⁻·0.5H₂O·0.5CH₃OH. The asymmetric unit contains two cations, two chloride ions, a mol­ecule of water and one methanol mol­ecule. The two cations adopt conformations that differ by an almost 180° rotation with respect to the piperidinopyrrolidine side chain. The cyclo­propyl ring and the meth­oxy group are not coplanar with the quinoline ring system. The carboxylic acid function, the protonated terminal piperidyl N atom, the water mol­ecule, the chloride ion and the methanol mol­ecule participate in O—H⋯O, O—H⋯Cl, N—H⋯O and N—H⋯Cl hydrogen bonding, linking the mol­ecules into extended two‐dimensional networks.     

(8‐Dimethylamino‐1‐naphthyl)dimethylammonium 3‐carboxy‐1,4,5,‐6,7,7‐hexachlorobicyclo[2.2.1]hept‐5‐ene‐2‐carboxylate hydrate

The structure of the title compound, C₁₄H₁₉N₂⁺·C₉H₃Cl₆O₄^?·H₂O, consists of singly ionized 1,4,5,6,7,7‐hexachlorobicyclo[2.2.1]hept‐5‐ene‐2,3‐dicarboxylic acid anions and protonated 1,8‐bis(dimethylamino)naphthalene cations. In the (8‐dimethylamino‐1‐napthyl)dimethylammonium cat­ion, a strong disordered intramolecular hydrogen bond is formed with N?N = 2.589 (3) Å. The geometry and occupancy obtained in the final restrained refinement suggest that the disordered hydrogen bond may be asymmetric. Water mol­ecules link the anion dimers into infinite chains via hydrogen bonding.     

Hierarchy of hydrogen bonding in bis­(1,4,7‐trioxa‐10‐azoniacyclo­dodecane) bis­(4‐amino­benzoate) trihydrate

In the title compound, 2C₈H₁₈NO₃⁺·2C₇H₆NO₂⁻·3H₂O, proton transfer occurs from the carboxylic acid group of the 4‐amino­benzoic acid (PABA) mol­ecule to the amine group of the macrocycle, resulting in the formation of a salt‐like adduct. The anions are combined into helical chains which are further bound by the water mol­ecules into sheets. The macrocyclic cations are situated between these layers and are bound to the anions both directly and via bridging water mol­ecules. The structure exhibits a diverse system of hydrogen bonding.     

2‐Amino­pyridinium–fumarate–fumaric acid (2/1/1)

The title complex, 2C₅H₇N₂⁺·C₄H₂O₄²⁻·C₄H₄O₄, contains cyclic eight‐membered hydrogen‐bonded rings involving 2‐­aminopyridinium and fumarate ions. The fumaric acid mol­ecules and fumarate ions lie on inversion centers and are linked into zigzag chains by O—H⋯O hydrogen bonds. The dihedral angle between the pyridinium ring and the hydrogen‐bonded fumarate ion is 7.60 (4)°. The fumarate anion is linked to the pyridinium cations by intermolecular N—H⋯O hydrogen bonds. The heterocycle is fully protonated, thus enabling amine–imine tautomerization.     

Tris(ethyl­ene­diamine)­nickel(II) bis­[2‐cyano‐2‐(oxidoimino)­acetamidato]­nickelate(II) monohydrate

The title compound, [Ni(C₂H₈N₂)₃][Ni(C₃HN₃O₂)₂]·H₂O, appears to be a modular associate consisting of two complex counter‐ions, containing bivalent nickel as the central atom in both cases, and a solvent water mol­ecule. The Ni^II ion in the complex cation lies on the C₂ crystallographic axis. Its coordination environment is formed by six N atoms of three ethyl­ene­diamine (en) mol­ecules, representing a distorted octa­hedral geometry. The Ni^II ion in the complex anion occupies a position at the center of inversion. It exhibits a distorted square‐planar coordination geometry formed by four N atoms belonging to the deprotonated oxidoimine and amide groups of the two doubly charged 2‐cyano‐2‐(oxidoimino)acetamidate anions, situated in trans positions with respect to each other. In the crystal packing, the complex anions are linked by water mol­ecules via hydrogen bonds between the amide O atoms and water H atoms, forming chains translated along the a direction. The [Ni(en)₃]²⁺ cations fill empty spaces between the translational chains, connecting them by hydrogen bonds between the oxime and amide O atoms of the anions and the amine H atoms of the cations, forming layers along the ac plane. The water mol­ecules provide connection between layers through N atoms of the cations, thus forming a three‐dimensional modular structure.     

Bis­[tris(2,2′‐bi­pyridine‐κ2N,N′)­ruthenium(II)] hexa­cyano­ferrate(III) chloride octahydrate

In the title compound, [Ru^II(C₁₀H₈N₂)₃]₂[Fe^III(CN)₆]Cl·8H₂O, the [Ru(bpy)₃]²⁺ (bpy is 2,2′‐bi­pyridine) cations and water mol­ecules afford intriguing microporous honeycomb layers, while the [Fe(CN)₆]³⁻ anions and the remainder of the water mol­ecules form anionic sheets based on extensive hydrogen‐bonding networks. The cationic and anionic layers alternate along the c axis. The Fe atom in [Fe(CN)₆]³⁻ lies on an inversion centre and the axial cyano ligands are hydrogen bonded to the water mol­ecules encapsulated within the micropores [N⋯O = 2.788 (5) Å], giving an unusual interpenetration between the cationic and anionic layers. On the other hand, the in‐plane cyano ligands are relatively weakly hydrogen bonded to the water mol­ecules [N⋯O = 2.855 (7) and 2.881 (8) Å] within the anionic sheets.     

Two rhod­amine derivatives: 9‐[2‐(ethoxycarbonyl)phenyl]‐3,6‐bis(ethyl­amino)‐2,7‐di­methyl­xanthyl­ium chloride monohydrate and 3,6‐di­amino‐9‐[2‐(methoxy­carbonyl)­phenyl]xanthyl­ium chloride trihydrate

The title compounds, C₂₈H₃₁N₂O₃⁺·Cl^?·H₂O (common name rhod­amine‐6g), (I), and C₂₁H₁₇N₂O₃⁺·Cl^?·3H₂O (common name rhod­amine‐123), (II), both have planar xanthene skeletons with a formal +1 charge on the amino N atoms delocalized through the π‐electron system so that the N—Csp² bond distances indicate significant double‐bond character. The substituted planar phenyl groups make angles of 63.29 (8) and 87.96 (11)° with the xanthene planes in (I) and (II), respectively. In both mol­ecules, the carbonyl bond vectors point toward the xanthene rings. The ethyl­amine groups in (I) are oriented similarly with their CH₂–CH₃ bond vectors pointing nearly perpendicular to the xanthene plane. The chloride ions and water mol­ecules are disordered in both structures. In (I), the chloride ion and water mol­ecule are disordered between two sites. One water and chloride alternately occupy the same site with occupancy factors of 0.5. The other 0.5‐chloride and 0.5‐water occupy two distinct positions separated by 0.747 (8) Å. In (II), the chloride ion is disordered between three sites and one of the waters is disordered about two other sites. Both crystal structures are stabilized by hydrogen bonds involving the chloride ions, amino groups and water mol­ecules, as well as by π–π stacking between xanthene planes.