catena‐Poly­[[[μ‐pyrazine‐κ2N:N′‐disilver(I)]‐di‐μ‐pyrazine‐κ4N:N′] bis­(tri­fluoro­methane­sulfonate) dihydrate]

The title compound, {[Ag₂(C₄H₄N₂)₃](CF₃SO₃)₂·2H₂O}_n, is a polymeric pyrazine–silver(I) complex. Each Ag^I ion is three‐coordinated by N atoms of three different pyrazine ligands, forming a T‐shaped coordination configuration. In the crystal structure, uncoordinated water mol­ecules are linked to tri­fluoro­methane­sulfonate anions through intermolecular O—H⋯O hydrogen bonds. There are weaker Ag⋯O interactions involving the water and sulfonate O atoms.     

The effects of substitution on tetrakis­(substituted imidazole)­copper(II) tri­fluoro­methane­sulfonates

The organic ligands 4‐methyl‐1H‐imidazole and 2‐ethyl‐4‐methyl‐1H‐imidazole react with Cu(CF₃SO₃)₂·6H₂O to give tetrakis(5‐methyl‐1H‐imidazole‐κN³)­cop­per(II) bis­(tri­fluoro­methane­sulfonate), [Cu(C₄H₆N₂)₄](CF₃SO₃)₂, and aqua­tetrakis(2‐ethyl‐5‐methyl‐1H‐imidazole‐κN³)copper(II) bis(tri­ fluoro­methane­sulfonate), [Cu(C₆H₁₀N₂)₄(H₂O)](CF₃SO₃)₂. In the former, the Cu atom has an elongated octahedral coordination environment, with four imidazole rings in equatorial positions and two tri­fluoro­methane­sulfonate ions in axial positions. This conformation is similar to those in the analogous complexes tetrakis­(imidazole)­cop­per(II) tri­fluoro­methane­sulfonate and tetrakis(2‐methyl‐1H‐imidazole)­cop­per(II) tri­fluoro­methane­sulfonate. In the second of the title compounds, the ethyl groups block the central Cu atom, and a square‐pyramidal coordination environment is formed around the Cu atom, with the substituted imidazole rings in the basal positions and a water mol­ecule in the axial position.     

Hydro­gen bonding in calcium–tri­fluoro­methane­sulfonate–1,3‐di‐4‐pyridyl­urea–methanol (1/2/2/4)

The structure of the supramolecular complex calcium–tri­fluoro­methane­sulfonate–1,3‐di‐4‐pyridyl­urea–methanol (1/2/2/4), Ca²⁺·2CF₃SO₃⁻·2C₁₁H₁₀N₄O·4CH₄O, is presented. The Ca²⁺ ion lies on an inversion centre and is octahedrally coordinated by four methanol mol­ecules and two tri­fluoro­methane­sulfonate counter‐ions. The molecular packing is dominated by hydrogen‐bonded sheets in the (110) plane which contain R(32) rings; in these rings, significant π–π interactions are observed between inversion‐related 1,3‐di‐4‐pyridyl­urea mol­ecules.     

Hydro­gen‐bonded supramolecular motifs in 4,4′‐bipyridinium 8‐hydroxy‐7‐iodo­quinoline‐5‐sulfonate dihydrate

In the title compound, C₁₀H₉N₂⁺·C₉H₅INO₄S⁻·2H₂O, the 4,4′‐bi­pyridine mol­ecule is protonated at one of the pyridine N atoms. These moieties self‐assemble into a supramolecular chain along the a axis through N—H⋯N hydrogen bonds. The quinolinol OH group acts as a donor with respect to a sulfonate O atom [O—H⋯O(sulfonate)] and acts as an acceptor with respect to a C—H group of ferron [C—H⋯O(hydroxy)], forming a supramolecular chain along the b axis. These two types of supramolecular chains (one type made up of bi­pyridine motifs and the other made up of sulfoxine motifs) interact viaπ–π stacking, generating a three‐dimensional framework. These chains are further crosslinked by C—­H⋯O hydrogen bonds and O—H⋯O hydrogen bonds involving water mol­ecules.     

Bis­[bis­(pyrimidin‐2‐yl‐κN)­amine](dicyan­amido‐κN1)(tri­fluoro­methanesulfonato‐κO)copper(II) ethanol hemisolvate forms a hydrogen‐bonded chain

In the crystal structure of [Cu(CF₃SO₃)(C₂N₃)(C₈H₇N₅)₂]·0.5C₂H₆O, the Cu^II atom adopts a distorted octahedral geometry, with the basal plane formed by two N atoms of one dipyrimidinyl­amine ligand, one N atom of the second pyrimidine ligand and a nitrile N atom of the dicyan­amide anion [Cu—N = 1.972 (2)–2.021 (2) Å]. The apical positions are occupied by an N atom of the second ligand [Cu—N = 2.208 (2) Å], and an O atom of the tri­fluoro­methane­sulfonate anion [Cu—O = 2.747 (2) Å] at a semi‐coordination distance. Pairs of inversion‐related N—H⋯N hydrogen bonds of the so‐called Watson–Crick type, augmented by two C—H⋯N contacts, link adjacent complexes into an infinite one‐dimensional chain running in the [101] direction.     

Pefloxacinium methane­sulfonate 0.10‐hydrate

The crystal structure of 4‐(3‐carboxy‐1‐ethyl‐6‐fluoro‐1,4‐di­hydro‐4‐oxo‐7‐quinolyl)‐1‐methyl­piperazinium methane­sulfonate 0.10‐hydrate, C₁₇H₂₁FN₃O₃⁺·CH₃O₃S^?·0.10H₂O, contains pefloxacinium cations, methane­sulfonate anions and a partially occupied water of solvation. The quinoline ring system in the cation is essentially planar. The anions lie parallel to each other about inversion centers. The structure is stabilized by strong hydrogen bonds involving the terminal piperazinyl‐N atom of the cation and an O atom of the anion [N?O 2.739 (2) Å], and a strong intramolecular hydrogen bond between carbonyl and carboxyl groups [O?O 2.523 (2) Å].     

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.     

4‐Fluoro‐2‐(phospho­no­methyl)­benzene­sulfonic acid monohydrate

The title compound, C₇H₈FO₆PS·H₂O, contains both phospho­nic and sulfonic acid functionalities. An extensive network of O—H?O hydrogen bonds is present in the crystal structure. The three acidic protons are associated with the phospho­nate group. Two protons experience typical hydrogen‐bond contacts with the sulfonate‐O atoms, while the third has a longer covalent bond of 1.05 (3) Å to the phospho­nate‐O atom and a short hydrogen‐bond contact of 1.38 (3) Å to the water O atom (all O—H?O angles are in the range 162–175°). The sulfonate group is positioned so that one S—O bond is nearly coplanar with the phenyl ring [torsion angle O—S—C—C ?8.6 (2)°]. The phospho­nate group is oriented approximately perpendicular to the ring [torsion angle P—C—C—C 99.2 (2)°] with one P—O bond anti to the benzyl C—C bond. The mol­ecules pack in layers in the b–c plane with the water mol­ecules in between adjacent pairs of inverted layers.     

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.     

catena‐Poly[[(trifluoro­methane­sulfon­ato‐κO)silver(I)]‐μ‐di‐2‐pyridyl­amine‐κ2N2:N2′], a chain polymer with short Ag⋯C contacts

The title compound, [Ag(CF₃O₃S)(C₁₀H₉N₃)]_n, is a chain polymer in which neighbouring monomeric units are related by a glide plane. The silver centre is four‐coordinate; the donor atoms are one trifluoro­methane­sulfonate O atom and one pyridine N atom from each of two symmetry‐related dipyridylamines, and an additional and unexpected Ag⋯C contact [2.6464 (16) Å] is observed to a pyridine C atom. The chains are reinforced by one classical N—H⋯O and two `weak' C—H⋯O hydrogen bonds.     

Bis{bis­[5‐tert‐butyl‐2‐oxido‐3‐(1‐pyridinio­methyl)­phenyl]­methane}­dioxouranium bis­(tri­fluoro­methane­sulfonate) pyridine disolvate: a uranyl bis­(diphenoxide) complex resulting from homooxacalixarene cleavage

The title compound, [UO₂(C₃₃H₃₈N₂O₂)₂](CF₃SO₃)₂·2C₅H₅N, has been obtained by reaction of U^IV tri­fluoro­methane­sulfonate with p‐tert‐butyl­tetrahomodioxacalix­[4]­arene in pyridine. The uranyl ion lies on an inversion centre and is bound to two O atoms from each diphenoxide ligand, which gives the usual square‐planar equatorial environment. The zwitterionic diphenoxide species results from nucleophilic attack by pyridine on the benzylic ether C atoms of the homooxacalixarene, assisted by initial U coordination to the ether groups, with subsequent metal oxidation giving the uranyl moiety.     

Hydro­gen bonding in 1‐carbamoyl­guanidinium methyl­phospho­nate monohydrate

The title compound, C₂H₇N₄O⁺·CH₄O₃P⁻·H₂O, crystallized with one carbamoyl­guanidinium cation, one methyl­phos­phonate anion and one water mol­ecule in the asymmetric unit. All H atoms of the carbamoyl­guanidinium ion are involved in a hydrogen‐bonded network. The CH₃PO₂(OH) anions, together with the water mol­ecules, build O—H⋯O hydrogen‐bonded ribbons around a 2₁ screw axis parallel to the b axis. Neighbouring ribbons are not directly connected via hydrogen bonding. The carbamoyl­guanidinium cations are linked to these ribbons by N—H⋯O bridges and build a slightly buckled layer structure, the interlayer distance being b/2.     

Two bis­(ammonium) 1,5‐naphthalene­disulfonate salts

The title compounds, bis­(ammonium) naphthalene‐1,5‐di­sul­fon­ate, 2NH₄⁺·C₁₀H₆O₆S₂²⁻, and bis­[1‐(hydroxy­methyl)‐3,5,7‐tri­aza‐1‐azoniatri­cyclo­[3.3.1.1^3,7]­decane] 1,5‐naphthalene­di­sul­fon­ate, 2C₇H₁₅N₄O⁺·C₁₀H₆O₆S₂²⁻, were prepared from the acid‐promoted reaction of hexa­methyl­enetetr­amine. In both structures, the di­sulfonate anion is positioned on an inversion center, with each sulfonate group contributing to the supramolecular assemblies via hydrogen bonds. The ammonium cations are linked to sulfonate groups by four distinct N⁺—H⃛⁻O—S contacts [N⃛O = 2.846 (2)–2.898 (2) Å and N—H⃛O = 160 (2)–175 (2)°], whereas the 1‐(hydroxy­methyl)‐3,5,7‐tri­aza‐1‐azoniatri­cyclo­[3.3.1.1^3,7]­decane cations form one O—H⃛⁻O—S [O⃛O = 2.628 (2) Å and O—H⃛O = 176°] and three C—H⃛⁻O—S [C⃛O = 3.359 (2)–3.380 (2) Å and C—H⃛O = 148–155°] interactions to neighboring sulfonate groups.     

Bis(β-alaninium) biphenyl-4,4′-disulfonate

In the crystal structure of the title compound, 2C₃H₈NO₂⁺·C₁₂H₈O₆S₂²⁻, N—H⃛O hydrogen bonds formed between the amino H atoms and the sulfonate O atoms give rise to the assembly of cationic β-alaninium dimers and centrosymmetric bi­phenyl-4,4′-­di­sulfonate anions into an extended two-dimensional layer. The resulting hydrogen-bonded ribbons can be described as C(6)R(12) according to graph-set notation. C—H⃛O hydrogen bonds between adjacent sheets further extend the structure into a three-dimensional arrangement.     

Hydro­gen‐bond networks in tris(4‐hydroxy­phenyl)­methane and its 1:1 molecular complex with 4,4′‐bi­pyridine

In tris(4‐hydroxy­phenyl)­methane (or 4,4′,4′′‐methane­triyl­tri­phenol), C₁₉H₁₆O₃, mol­ecules are connected by O—H⃛O hydrogen bonds [O⃛O = 2.662 (2) and 2.648 (2) Å] into two‐dimensional square networks that are twofold interpenetrated. In tris(4‐hydroxy­phenyl)­methane–4,4′‐bi­pyridine (1/1), C₁₉H₁₆O₃·C₁₀H₈N₂, trisphenol mol­ecules form rectangular networks via O—H⃛O [O⃛O = 2.694 (3) Å] and C—H⃛O [C⃛O = 3.384 (3) Å] hydrogen bonds. Bi­pyridine mol­ecules hydrogen bonded to phenol moieties [O⃛N = 2.622 (3) and 2.764 (3) Å] fill the voids to complete the structure.     

Glycinium trichloro­acetate

The title compound, C₂H₆NO₂⁺·C₂Cl₃O₂⁻, crystallizes in the P4₁ space group with two glycinium cations and two trichloro­acetate anions in the asymmetric unit. The glycinium cations have nearly C_s point‐group symmetry which is only broken by the H atoms of the amine group. The trichloro­acetate anions show typical bond lengths and angles, one of the trichloro­methyl groups being disordered. Chains of alternating anions and cations run along the c axis. Within these chains, consecutive anion–cation pairs are bound via strong hydrogen bonds involving the carboxyl­ate anions and the carboxyl or amine groups of the cations. Weaker hydrogen bonds bind neighbouring chains together.     

{2,6‐Bis­[(di­methyl­amino)­methyl]­phenyl‐N2,C1,N6}di­phenyl­tin(II) bromide monohydrate

In the title compound, [Sn(C₆H₅)₂(C₁₂H₁₉N₂)]Br·H₂O, the Sn^IV atom lies on a twofold axis and is coordinated by a C and two N atoms from the 2,6‐bis­[(di­methyl­amino)­methyl]­phenyl ligand in a tridentate fashion and by two phenyl groups. The resulting geometry is intermediate between square pyramidal and trigonal bipyramidal, with three C atoms in equatorial and the two N atoms in axial positions. The main deformation from ideal trigonal‐bipyramidal geometry is seen for the N—Sn—N angle [152.18 (7)°]. The Br^? anion and the water solvate mol­ecule are on an inversion centre and twofold axis, respectively. They form an infinite chain of Br?H—O—H?Br hydrogen bonds [Br?O 3.529 (2) Å] without contributing to the primary coordination sphere of the Sn atom.     

1,4,7,10‐Tetra­oxacyclo­dodeca­ne–triphenyl­methane­thiol (1/2)

In the centrosymmetric formula unit of the title complex, C₈H₁₆O₄·2C₁₈H₁₆S, the 1,4,7,10‐tetra­oxacyclo­dodecane mol­ecule adopts the biangular [66] conformation, and the triphenyl­methane­thiol mol­ecules are linked to the macrocycle via a long S—H⋯O hydrogen bond [S⋯O = 3.460 (2) Å and S—H⋯O = 161 (2)°]. Attractive inter­actions of phenyl groups in edge‐to‐face conformations combine inversion‐related formula units into chains running along the [111] direction in the crystal structure. Association of the chains into sheets is achieved via C—H⋯π inter­actions.     

Cocrystallization of melaminium levulinate monohydrate

Crystals of 2,4,6‐tri­amino‐1,3,5‐triazin‐1‐ium levulinate (4‐oxo­pentanoate) monohydrate, C₃H₇N₆⁺·C₅H₇O₃⁻·H₂O, are formed via self‐assembled hydrogen bonding by cocrystallization of mel­amine and levulinic acid. Two N—H⋯N hydrogen bonds and four N—H⋯O hydrogen bonds connect two melaminium entities such that each of two pairs of N—H⋯O bonds bridges two H atoms belonging to the amine groups of two different melaminium cations via the carbonyl O atom of one levulinate mol­ecule.     

Protonation products of pentaaminopentane as novel building blocks for hydrogen‐bonded networks

The structures of 3‐amino‐1,2R,4S,5‐tetra­ammoniopentane tetrachloride monohydrate, C₅H₂₁N₅⁴⁺·4Cl^?·H₂O, and 1,2R,3,4S,5‐penta­ammoniopentane tetra­chloro­zincate tri­chlor­ide monohydrate, (C₅H₂₂N₅)[ZnCl₄]Cl₃·H₂O, have been determined from single‐crystal X‐ray diffraction data. Both compounds show a complex network of N—H?O, O—H?Cl and N—H?Cl hydrogen bonds. There are a total of 14 H atoms of the tetra‐cation and 15 H atoms of the penta‐cation available for hydrogen bonding. However, due to the particular shape of the primary linear poly­ammonium cations, only a certain number of H atoms can be involved in hydrogen‐bond formation. It is further shown that hydrogen bonding has an influence on the conformation of such alkyl­ammonium cations.