A novel bridged asymmetric binuclear manganese(II) complex with DTPB [DTPB is 1,1,4,7,7‐pentakis(1H‐benz­imidazol‐2‐yl­methyl)‐1,4,7‐tri­aza­heptane]

The crystal structure of the title compound, tetra­chloro­[μ‐1,1,4,7,7‐pentakis(1H‐benzimidazol‐2‐yl­methyl)‐1,4,7‐tri­azaheptane]­dimanganese(II) methanol pentasolvate tetrahydrate, [Mn₂Cl₄(C₄₄H₄₃N₁₃)]·5CH₄O·4H₂O, contains an ­asymmetric dinuclear Mn^II–DTPB [DTPB is 1,1,4,7,7‐pentakis(1H‐benzimidazol‐2‐yl­methyl)‐1,4,7‐tri­aza­heptane] complex with an intra‐ligand bridging group (–NCH₂CH₂N–), as well as several solvate mol­ecules (methanol and water). Both Mn^II cations have similar distorted octahedral coordination geometries. One Mn^II cation is coordinated by a Cl⁻ anion and five N atoms from the ligand, and the other is coordinated by three Cl⁻ anions and three N atoms of the same ligand. The Mn⋯Mn distance is 7.94 Å. A Cl⋯H—O⋯H—O⋯H—N hydrogen‐bond chain is also observed, connecting the two parts of the complex.     

2,8‐Di­hydroxy‐1,3,7,9‐tetra­methyl‐6,12‐di­hydro­dipyrido­[1,2‐a:1′,2′‐d]pyrazine­diyl­ium dichloride dihydrate

The 2,8‐di­hydroxy‐1,3,7,9‐tetra­methyl‐6,12‐di­hydro­di­pyrido[1,2‐a:1′,2′‐d]pyrazine­diyl­ium dication possesses 2/m symmetry and lies in the mirror plane together with a chloride anion and the water O atom. The dication also lies on an inversion centre, i.e. C₁₆H₂₀N₂O₂²⁺·2Cl^?·2H₂O. Due to these symmetry constrictions the dication adopts an unexpected planar conformation. Molecules are linked by O—H?O and O—H?Cl hydrogen bonds to form chains, which are cross‐connected by C—H?Cl attractive interactions forming a complex three‐dimensional hydrogen‐bond network.     

Tetrakis(chloromethyl)phosphonium chloride monohydrate

Tetrakis­(chloro­methyl)­phospho­nium chloride monohydrate, C₄H₈Cl₄P⁺·Cl^?·H₂O or P(CH₂Cl)₄⁺·Cl^?·H₂O, is the first crystal structure determination of a tetrakis­(halogeno­methyl)­phospho­nium compound to date. The only comparable structures known so far are of phospho­nium ions containing just one halogeno­methyl group. The solvent water mol­ecule interacts with the Cl^? anion via hydrogen bonds, with O?Cl distances of 3.230 (2) and 3.309 (2) Å. The structure also contains several C—H?Cl^? and C—H?O contacts, though with longer D?A distances [D?A 3.286 (3)–3.662 (2) Å] or bent D—H?A angles. For these reasons, the C—H?Cl^? and C—H?O interactions should not be considered as strong hydrogen bonds.     

The salt‐type 1:2 adduct of meso‐5,5,7,12,12,14‐hexa‐C‐methyl‐1,4,8,11‐tetraazacyclotetradecane (tet‐a) and 5‐nitroisophthalic acid forms a hydrogen‐bonded sheet ­structure containing two configur­ational isomers of [(tet‐a)H2]2+

The title compound, meso‐5,7,7,12,14,14‐hexa­methyl‐4,11‐di­aza‐1,8‐diazo­nia­cyclo­tetra­decane bis(3‐carboxy‐5‐nitro­benz­oate), C₁₆H₃₈N₄²⁺·2C₈H₄NO₆^?, is a salt in which the cation is present as two configurational isomers, disordered across a common centre of inversion in P, with occupancies of 0.847 (3) and 0.153 (3). The anions are linked into chains by a single O—H?O hydrogen bond [H?O 1.71 Å, O?O 2.5063 (15) Å and O—H?O 156°] and the cations link these anion chains into sheets by means of a range of N—H?O hydrogen bonds [H?O 1.81–2.53 Å, N?O 2.718 (5)–3.3554 (19) Å and N—H?O 146–171°].     

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.     

Thia­mine tetra­phenyl­borate monohydrate: a two‐dimensional hydrogen‐bonded network with (4,4)‐topology

The title compound, 3‐[(4‐amino‐2‐methyl­pyrimidin‐5‐yl)­meth­yl]‐5‐(2‐hydroxy­eth­yl)‐4‐methyl­thia­zolium tetra­phenyl­borate monohydrate, C₁₂H₁₇N₄OS⁺·C₂₄H₂₀B⁻·H₂O, is a salt in which the thiamine cations are linked by hydrogen bonds into a two‐dimensional network having (4,4)‐topology. The stacked sheets form channels, which are occupied by the anions; the cations and anions are linked by C—H⋯π(arene) hydrogen bonds.     

Hexa­methyl­enetetra­mine–4‐nitro­catechol–water (1/2/1)

In the title adduct, 1,3,5,7‐tetra­aza­tri­cyclo[3.3.1.1^3,7]dec­ane–4‐nitro­benzene‐1,2‐diol–water (1/2/1), C₆H₁₂N₄·2C₆H₅NO₄·H₂O, the hexa­methyl­ene­tetra­mine mol­ecule acts as an acceptor of intermolecular O—H?N hydrogen‐bonding interactions from the water mol­ecule and the hydroxy groups of one of the two symmetry‐independent 4‐nitro­catechol mol­ecules. The structure is built from molecular layers which are stabilized by three intermolecular O—H?O, two intermolecular O—H?N and four intermolecular C—H?O hydrogen bonds. The layers are further interconnected by one additional intermolecular O—H?N and two intermolecular C—H?O hydrogen bonds.     

Betainohydroxamic acid chloride

The title compound, N‐hydroxy‐2‐(tri­methyl­ammonio)­acet­amide chloride, C₅H₁₃N₂O₂⁺·Cl⁻, has been synthesized and structurally characterized. The structure consists of betaino­hydroxamic acid cations and Cl⁻ anions linked by N—H⋯Cl and O—H⋯Cl hydrogen bonds into chains along [001]. It was found that the positive inductive effect of the charged N atom in close proximity to the hydroxamate carbonyl O atom has a negligible effect on the hydroxamic C—N bond length.     

Poly[di‐μ2‐methano­lato‐di‐μ2‐tetra­methoxy­borato‐disodium(I)]

In the polymeric title compound, [Na₂(C₄H₁₂BO₄)₂(CH₄O)₂]_n, the two independent sodium cations are bound by five O atoms. All the O atoms of one tetra­methoxy­borate anion bind cations, forming a tetra­meric cluster around a tetra­gonal inversion centre [Na—O = 2.2777 (18)–2.3907 (16) Å]. Two methanol O atoms bridge the two Na atoms [Na—O = 2.3590 (15)–2.4088 (18) Å] and provide the hydrogen‐bonding H atoms. The second tetra­methoxy­borate anion provides two O atoms to one Na atom [mean Na—O = 2.31 (2) Å] and two O atoms as donors for crosslinking hydrogen bonds to adjacent tetra­mers, which complete the three‐dimensional packing. The crystal was a treated as a racemic twin.     

Multicentre hydrogen bonds in a 2:1 aryl­sulfonyl­imidazol­one ­hydro­chloride salt

The title compound, (S)‐(+)‐4‐[5‐(2‐oxo‐4,5‐di­hydro­imidazol‐1‐yl­sulfonyl)­indolin‐1‐yl­carbonyl]­anilinium chloride (S)‐(+)‐1‐[1‐(4‐amino­benzoyl)­indoline‐5‐sulfonyl]‐4‐phenyl‐4,5‐di­hydro­imidazol‐2‐one, C₂₄H₂₃N₄O₄S⁺·Cl^?·C₂₄H₂₂N₄O₄S, crystallizes in space group C2 from a CH₃OH/CH₂Cl₂ solution. In the crystal structure, there are two different conformers with their terminal C₆ aromatic rings mutually oriented at angles of 67.69 (14) and 61.16 (15)°. The distances of the terminal N atoms (of the two conformers) from the chloride ion are 3.110 (4) and 3.502 (4) Å. There are eight distinct hydrogen bonds, i.e. four N—H?Cl, three N—H?O and one N—H?N, with one N—H group involved in a bifurcated hydrogen bond with two acceptors sharing the H atom. C—H?O contacts assist in the overall hydrogen‐bonding process.     

Two hydro­chlorides of 7‐methyl‐3,7,11,17‐tetra­aza­bi­cyclo­[11.3.1]­heptadeca‐1(17),13,15‐triene

The X‐ray structure determinations of the two title com­pounds, namely 7‐methyl‐7,17‐di­aza‐3,11‐diazo­niabi­cyclo[11.3.1]­hep­ta­deca‐1(17),13,15‐triene dichloride monohydrate, C₁₄H₂₆N₄²⁺·2Cl^?·H₂O, (I), and 7‐methyl‐17‐aza‐3,7,11‐triazo­niabi­cyclo­[11.3.1]­heptadeca‐1(17),13,15‐triene 2.826‐chloride 0.174‐nitrate, C₁₄H₂₇N₄³⁺·2.826Cl^?·0.174NO₃^?, (II), are re­ported. Protonation occurs at the secondary amine N atoms in (I) and at all three amine N atoms in (II) to which the Cl^? ions are linked via N—H?Cl hydrogen bonds. The macrocyclic hole is quite different in both structures, as is observed by comparing particularly the N3?N4 distances [2.976 (4) and 4.175 (4) Å for (I) and (II), respectively]. In (II), a Cl^? ion alternates with an NO₃^? ion in a disordered structure.     

Tetra­butyl­ammonium α‐acetyl‐γ‐butyrolactonate containing a three‐dimensional hydrogen‐bonded network

The title compound, C₁₆H₃₆N⁺·C₆H₇O₃^?, crystallizes with two independent anions and two independent cations in the asymmetric unit. Each anion adopts an s‐trans conformation and forms O?H—C hydrogen bonds to the α‐methyl­ene groups of four neighbouring tetra­butyl­ammonium cations, to create a three‐dimensional hydrogen‐bonded network.     

(2‐Hydroxy­ethyl)­hydrazinium(2+) dichloride

The crystal structure of the title compound, C₂H₁₀N₂O²⁺·2Cl⁻, is built up from one 2‐hydroxy­ethyl­hydrazinium(2+) cation and two Cl⁻ anions. The mol­ecular structure is stabilized by O—H⋯Cl and N—H⋯Cl hydrogen bonds. The crystal structure is stabilized by one N—H⋯O and three N—H⋯Cl inter­actions, and the three‐dimensional network of hydrogen bonds stabilizes the crystal packing. All five hydrazinium H atoms are involved in hydrogen bonds to Cl⁻ anions. The Cl⋯H contact distances range from 2.122 (15) to 2.809 (14) Å.     

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.     

Three oxo complexes with a tetra­nuclear [Cu4(μ2‐Cl)6(μ4‐O)] unit

The three title compounds, namely 4‐phenyl‐1H‐imidazolium hexa‐μ₂‐chloro‐chloro‐μ₄‐oxo‐tris­(4‐phenyl‐1H‐imidazole‐κN¹)­tetra­copper(II) monohydrate, (C₉H₉N₂)[Cu₄Cl₇O(C₉H₈N₂)₃]·H₂O, hexa‐μ₂‐chloro‐μ₄‐oxo‐tetra­kis­(pyridine N‐oxide‐κO)tetra­copper(II), [Cu₄Cl₆O(C₅H₅NO)₄], and hexa‐μ₂‐chloro‐tetra­kis(2‐methyl‐1H‐imidazole‐κN¹)‐μ₄‐oxo‐tetra­copper(II) methanol trisolvate, [Cu₄Cl₆O(C₄H₆N₂)₄]·3CH₄O, exhibit the same Cu₄OCl₆ framework, where the O atom at the centre of an almost regular tetra­hedron bridges four copper cations at the corners. This group is in turn surrounded by a Cl₆ octa­hedron, leading to a rather globular species. This special arrangement of the Cu^II cations results in a diversity of magnetic behaviours.     

Proton‐bifurcated C—H⋯(O,O) hydrogen bonds in 2,3‐dichloro‐6‐nitro­benzyl­aminium chloride

In the crystal structure of the title salt, C₇H₇Cl₂N₂O₂⁺·Cl⁻, the chloride anions participate in extensive hydrogen bonding with the aminium cations and indirectly link the mol­ecules through multiple N⁺—H⋯Cl⁻ salt bridges. There are two independent mol­ecules in the asymmetric unit, related by a pseudo‐inversion center. The direct inter­molecular coupling is established by C—H⋯O, C—H⋯Cl and C—Cl⋯Cl⁻ inter­actions. A rare three‐center (donor bifurcated) C—H⋯(O,O) hydrogen bond is observed between the methyl­ene and nitro groups, with a side‐on intra­molecular component of closed‐ring type and a head‐on inter­molecular component.     

Secondary interactions in n‐(chloromethyl)pyridinium chlorides (n = 2, 3, 4)

In the isomeric title compounds, viz. 2‐, 3‐ and 4‐(chloro­methyl)pyridinium chloride, C₆H₇ClN⁺·Cl^?, the secondary interactions have been established as follows. Classical N—H?Cl^? hydrogen bonds are observed in the 2‐ and 3‐isomers, whereas the 4‐isomer forms inversion‐symmetric N—H(?Cl^??)₂H—N dimers involving three‐centre hydrogen bonds. Short Cl?Cl contacts are formed in both the 2‐isomer (C—Cl?Cl^?, approximately linear at the central Cl) and the 4‐isomer (C—Cl?Cl—C, angles at Cl of ca 75°). Additionally, each compound displays contacts of the form C—H?Cl, mainly to the Cl^? anion. The net effect is to create either a layer structure (3‐isomer) or a three‐dimensional packing with easily identifiable layer substructures (2‐ and 4‐isomers).     

Astemizole tetra­chloro­cuprate(II)

The structure of {3‐[(4‐fluoro­phenyl)­methyl]‐1H‐benzimidazol‐2‐ylidene}{1‐[2‐(4‐meth­oxy­phenyl)­ethyl]‐4‐piperidin‐1‐io}ammonium tetra­chloro­cuprate(II), (C₂₈H₃₃FN₄O)[CuCl₄], contains diprotonated cations of astemizole hydrogen bonded to three Cl atoms in two different CuCl₄^2? anions, with Cl?N distances in the range 3.166 (4)–3.203 (4) Å. The geometry around copper is flattened tetrahedral with significantly different Cu—Cl distances which lie in the range 2.1968 (14)–2.2861 (12) Å. The phenyl­ethyl C atoms of the (4‐methoxy­phenyl­)ethyl group are disordered indicating the presence of two conformers in the crystals.     

Two‐component molecular crystals composed of chloronitrobenzoic acids and 4‐aminopyridine

The crystal structures of the four isomeric organic salts 4‐amino­pyridinium 2‐chloro‐4‐nitro­benzoate, (I), 4‐amino­pyridinium 2‐chloro‐5‐nitro­benzoate, (II), 4‐amino­pyridinium 5‐chloro‐2‐nitro­benzoate, (III), and 4‐amino­pyridinium 4‐chloro‐2‐nitro­benzoate, (IV), all C₅H₇N₂⁺·C₇H₃ClNO₄^?, are presented. Compound (I) has one intramolecular hydrogen bond, one intermolecular C—H?O hydrogen bond and π–π‐stacking interactions. Compound (II) has N—H?O, C—H?O and C—H?Cl hydrogen bonds, and Cl?O—C electrostatic interactions. Compound (III) has N—H?O and C—H?O hydrogen bonds. Compound (IV) has a π–π‐stacking interaction, but no C—H?O hydrogen bonds.     

2,5‐Dicarboxy­anilinium chloride monohydrate

The title compound, C₈H₈NO₄⁺·Cl⁻·H₂O, is the chloro­hydrated form of 2‐amino­benzene‐1,4‐dicarboxylic acid, the basic crystal structure of which is still not known. Mol­ecules are linked by classical N—H⋯O, O—H⋯O, N—H⋯Cl and O—H⋯Cl hydrogen bonds, mainly along the mol­ecular plane, into sheets built by unusual R₆⁴(26), R₆⁴(22) and R₄³(22) rings. The stacking between layers is stabilized by another N—H⋯Cl hydrogen bond and by π–π inter­actions between aromatic rings facing each other.