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1.  1-Heptyl-1,3,6,8-tetraaza­tricyclo­[4.3.1.13,8]undecan-1-ium iodide 
The title compound C14H29N4 +·I− salt, was obtained by the reaction of cage adamanzane-type aminal 1,3,6,8-tetra­aza­tricyclo­[4.3.1.13,8]undecane with heptyl iodide. In the cation, the bond lengths and angles are within normal ranges, except for one N—C(ring) bond distance of 1.542 (3) Å, which is unexpectedly long compared with related compounds. In the crystal, ions are linked through C—H⋯I hydrogen bonds. The crystal studied was a non-merohedral twin with a minor twin domain of 6.56 (5)%.
doi:10.1107/S1600536811036403
PMCID: PMC3201392  PMID: 22064969
2.  Synthesis and structural studies of a new class of quaternary ammonium salts, which are derivatives of cage adamanzane type aminal 1, 3, 6, 8-tetraazatricyclo[4.3.1.13,8]undecane (TATU) 
Background
Novel mono N-alkyl quaternary ammonium salts (3a-f) were prepared using the Menschutkin reaction from the cage adamanzane type aminal 1,3,6,8-tetraazatricyclo[4.3.1.13,8]undecane (TATU) and alkyl iodides, such as methyl, ethyl, propyl, butyl, pentyl and hexyl iodide (2a-f), in dry acetonitrile at room temperature.
Results
The structures of these new quaternary ammonium salts were established using various spectral and electrospray ionization mass spectrometry (ESI-MS) analyses. Compound (3b) was also analyzed using X-ray crystallography.
Conclusion
It was noted that alkyl chain length did not significantly affect the reaction because all employed alkyl iodide electrophiles reacted in a similar fashion with the aminal 1 to produce the corresponding mono N-quaternary ammonium salts, which were characterized by spectroscopic and analytical techniques.
doi:10.1186/1752-153X-5-55
PMCID: PMC3189110  PMID: 21933409
3.  Diaqua­(1,4,8,11-tetra­aza­cyclo­tetra­decane-κ4 N 1,N 4,N 8,N 11)copper(II) dihepta­noate dihydrate 
The CuII atom in the title salt, [Cu(C10H24N4)(H2O)2][CH3(CH2)5CO2]2·2H2O, is chelated by the four N atoms of the 1,4,8,11-tetra­aza­cyclo­tetra­decane (cyclam) ligand and is coordinated by two water mol­ecules in a tetra­gonally Jahn–Teller-distorted octa­hedral geometry. The CuII atom lies on a center of inversion. The cations, anions and uncoordinated water mol­ecules are linked by N—H⋯O and O—H⋯O hydrogen bonds, forming a layer structure parallel to (100). The alkyl chain of the anion is disordered over two positions in a 0.82 (1):0.18 (1) ratio.
doi:10.1107/S1600536810025687
PMCID: PMC3007509  PMID: 21588132
4.  Diaqua­(1,4,8,11-tetra­aza­cyclo­tetra­decane-κ4 N 1,N 4,N 8,N 11)copper(II) bis­(4-methyl­benzoate) monohydrate 
The CuII atom in the title salt, [Cu(C10H24N4)(H2O)2](C8H7O2)2·H2O, is chelated by the four N atoms of the 1,4,8,11-tetra­aza­cyclo­tetra­decane (cyclam) ligand and is coordinated by two water mol­ecules in a Jahn–Teller-type of tetra­gonally distorted octa­hedral geometry. The cations, anions and lattice water mol­ecules are linked by N—H⋯O and O—H⋯O hydrogen bonds to form a layer structure parallel to (001).
doi:10.1107/S1600536810026012
PMCID: PMC3007233  PMID: 21588135
5.  Diaqua­(1,4,8,11-tetra­aza­cyclo­tetra­decane-κ4 N 1,N 4,N 8,N 11)copper(II) bis­(2,3,4,5,6-penta­fluoro­benzoate) dihydrate 
The CuII atom in the title salt, [Cu(C10H24N4)(H2O)2](C6F5CO2)2·2H2O, is chelated by the four N atoms of the 1,4,8,11-tetra­aza­cyclo­tetra­decane (cyclam) ligand and is coordinated by two water mol­ecules in a Jahn–Teller-type tetra­gonally distorted octa­hedral geometry. The CuII atom lies on a center of inversion. The cations, anions and uncoordinated water mol­ecules are linked by N—H⋯O and O—H⋯O hydrogen bonds, forming a layer structure parallel to (001).
doi:10.1107/S1600536810025705
PMCID: PMC3007516  PMID: 21588134
6.  Diaqua­(1,4,8,11-tetra­aza­cyclo­tetra­decane-κ4 N 1,N 4,N 8,N 11)copper(II) dideca­noate dihydrate 
The CuII atom in the title salt, [Cu(C10H24N4)(H2O)2][CH3(CH2)8CO2]2·2H2O, is chelated by the four N atoms of the 1,4,8,11-tetra­aza­cyclo­tetra­decane (cyclam) ligand and is coordinated by two water mol­ecules in a Jahn–Teller-type tetra­gonally distorted octa­hedral geometry. The CuII atom lies on a center of inversion. The cations, anions and uncoordinated water mol­ecules are linked by N—H⋯O and O—H⋯O hydrogen bonds, forming a layer structure parallel to (001).
doi:10.1107/S1600536810025699
PMCID: PMC3007572  PMID: 21588133
7.  Diaqua­(1,4,8,11-tetra­aza­cyclo­tetra­decane-κ4 N 1,N 4,N 8,N 11)copper(II) didodeca­noate dihydrate 
The title compound, [Cu(C10H24N4)(H2O)2][CH3(CH2)10CO2]2·2H2O, consists of one cationic copper(II) complex, two dodeca­noate anions and two water solvent mol­ecules. The CuII atom is located on an inversion center and is chelated by the four aza N atoms of the neutral 1,4,8,11-tetra­aza­cyclo­tetra­decane (cyclam) ligand and by two water mol­ecules in axial positions, giving an octa­hedral coordination geometry, distorted as a consequence of the Jahn–Teller effect. The uncoordinated water mol­ecules link the complex cations and the dodeca­noate counter-ions through O—H⋯O hydrogen bonding, forming a layer structure parallel to (001). Inter­molecular N—H⋯O inter­actions also occur.
doi:10.1107/S1600536811012773
PMCID: PMC3089101  PMID: 21754311
8.  2,3,5-Triphenyl-2H-tetra­zol-3-ium iodide 
The asymmetric unit of the title mol­ecular salt, C19H15N4 +·I−, contains four 2,3,5-triphenyl-2H-tetra­zol-3-ium cations and five iodide anions, with two of the latter lying on crystallographic inversion centres. In each cation, the tetra­zole ring is essentially planar (r.m.s. deviations = 0.004–0.007 Å). The dihedral angles between the tetra­zole ring and its three attached benzene rings in the four independent cations are: 12.9 (4), 67.0 (4), 48.1 (4); 20.8 (4), 51.1 (4), 62.3 (4); 11.4 (4), 52.3 (4), 47.3 (4) and 6.0 (4), 85.7 (4), 43.5 (4)°. A C—H⋯I hydrogen bond and C—H⋯π inter­actions are observed in the crystal.
doi:10.1107/S1600536812033661
PMCID: PMC3435649  PMID: 22969522
9.  Crystal structure of 2-[12-methyl-14-phenyl-10,13,14,16-tetra­aza­tetra­cyclo[7.7.0.02,7.011,15]hexa­deca-1(16),2,4,6,9,11(15),12-heptaen-8-yl­idene]propandi­nitrile 
In the title mol­ecule, C22H12N6, the fused tetracyclic core shows a small lengthwise twist as indicated by the dihedral of 2.7 (2)° between the outer rings. In the crystal, mol­ecules stack along the b-axis direction via offset π-stacking [centroid–centroid distances = 3.5282 (13) and 3.5597 (14) Å] with the stacks weakly associated through C—H⋯N hydrogen bonds. The phenyl ring is rotationally disordered over two orientations with an occupancy ratio of 0.516 (4):0.484 (4).
doi:10.1107/S1600536814024167
PMCID: PMC4257392  PMID: 25553023
crystal structure; hepta­ene; propandi­nitrile; pyrazine scaffold compound; fused tetracyclic core
10.  Bis(hydrazin-1-ium) bis­(μ2-pyridazine-3,6-dicarboxyl­ato)bis­(aqua­lithiate) octa­aqua­bis­(μ3-pyridazine-3,6-dicarboxyl­ato)tetra­lithium 
The unit cell of the title compound, (N2H5)2[Li2(C6H2N2O4)2(H2O)2]·[Li4(C6H2N2O4)2(H2O)8], comprises two centrosymmetric complexes, one double negatively charged and one neutral, and two mono-protonated hydrazine cations. The anionic complex molecule is a dimer, built of a pair of symmetry-related pyridazine-3,6-dicarboxyl­ate ligands and a pair of LiI ions, each coordinated by two N,O-chelating sites donated by a ligand mol­ecule and an aqua O atom at the apical position. The penta­coordination around the LiI ions is partway between a trigonal–bipyramidal and a square-pyramidal arrangement. The two carb­oxy­lic acid groups of the ligand are deprotonated and one carboxyl­ate O atom of each group is not involved in the coordination, and this applies to both the anionic and the neutral complex. The neutral complex molecule is also composed of a pair of LiI ions and a pair of ligand mol­ecules related by a centre of symmetry. They form a dimeric core in which the penta­coordination of the LiI ions includes two N,O-bonding groups donated by two ligands and an aqua O atom. The penta­coordination is described as partway between a trigonal–bipyramidal and a square-pyramidal arrangement. The coordinated carboxyl­ate group is bidentate–bridging, forming with an Li(H2O)3 unit a neutral tetra­meric mol­ecule. The coordination of the tetra­coordinated LiI ion shows a slightly distorted tetra­hedral geometry. An extended system of O—H⋯O and N—H⋯O hydrogen bonds contributes to the stability of the crystal structure.
doi:10.1107/S1600536812007192
PMCID: PMC3297271  PMID: 22412461
11.  Coordination of bis­(pyrazol-1-yl)amine to palladium(II): influence of the co-ligands and counter-ions on the mol­ecular and crystal structures1  
The crystal structures for five PdII complexes containing the tridentate ligand bis­[2-(3,5-di­methyl­pyrazol-1-yl)eth­yl]amine (pza) are reported. The co-ligand completing the square-planar coordination of the PdII centre influences the conformation of the pza ligand.
The structures of a series of complexes with general formula n[Pd(pza)X]Y·mH2O (n = 1, 2; X = Cl, Br, I, N3, NCS; Y = NO3, I, N3, [Pd(SCN)4]; m = 0, 0.5, 1) have been determined, where pza is the tridentate ligand bis­[2-(3,5-di­methyl­pyrazol-1-yl)eth­yl]amine, C14H23N5. In all complexes, {bis­[2-(3,5-di­methyl­pyrazol-1-yl-κN 2)eth­yl]amine-κN}chlorido­palladium nitrate, [Pd(pza)Cl]NO3, (1), {bis­[2-(3,5-di­methyl­pyrazol-1-yl-κN 2)eth­yl]amine-κN}bromido­palladium nitrate, [Pd(pza)Br]NO3, (2), {bis­[2-(3,5-di­methyl­pyrazol-1-yl-κN 2)eth­yl]amine-κN}iodido­palladium iodide hemihydrate, [Pd(pza)I]I·0.5H2O, (3), azido{bis­[2-(3,5-di­methyl­pyrazol-1-yl-κN 2)eth­yl]amine-κN}palladium azide monohydrate, [Pd(pza)N3]N3·H2O, (4), and bis­[{bis­[2-(3,5-di­methyl­pyrazol-1-yl-κN 2)eth­yl]amine-κN}(thio­cyanato-κN)palladium] tetra­kis­(thio­cyanato-κS)palladate, [Pd(pza)NCS]2[Pd(SCN)4], (5), the [Pd(pza)X]+ complex cation displays a square-planar coordination geometry, and the pza ligand is twisted, approximating twofold rotation symmetry. Although the pza ligand is found with the same conformation along the series, the dihedral angle between pyrazole rings depends on the co-ligand X. This angle span the range 79.0 (3)–88.6 (1)° for the studied complexes. In (3), two complex cations, two I− anions and one water mol­ecule of crystallization are present in the asymmetric unit. In (5), the central amine group of pza is disordered over two positions [occupancy ratio 0.770 (18):0.230 (18)]. The complex [Pd(SCN)4]2− anion of this compound exhibits inversion symmetry and shows the Pd2+ transition metal cation likewise in a square-planar coordination environment. Compound (5) is also a rare occurrence of a non-polymeric compound in which the pseudohalide ligand NCS− behaves both as thio­cyanate and iso­thio­cyanate, i.e. is coordinating either through the N atom (in the cation) or the S atom (in the anion).
doi:10.1107/S205698901402595X
PMCID: PMC4331852
crystal structure; coordination compounds; bis­[2-(3,5-di­methyl­pyrazol-1-yl)eth­yl]amine (pza) ligand; bis­(pyrazol-1-yl)amine; palladium(II)
12.  catena-Poly[[[(5,5,7,12,12,14-hexa­methyl-1,4,8,11-tetra­aza­cyclo­tetra­decane-κ4 N)nickel(II)]-μ-oxido-[dioxidotungstate(VI)]-μ-oxido] tetra­hydrate] 
In the title compound, {[NiWO4(C16H36N4)]·4H2O}n, the NiII ion lies on an inversion center and is octahedrally coordinated by four N atoms of the tetradentate macrocyclic 5,5,7,12,12,14-hexa­methyl-1,4,8,11-tetra­aza­cyclo­tetra­decane (L) ligand in the equatorial plane and two O atoms of [WO4]2− anions in axial positions. Each [WO4]2− anion bridges two adjacent [NiL]2+ cations, forming a chain along [001]. The chains are further connected via N—H⋯O, O—H⋯O and C—H⋯O hydrogen-bonding inter­actions, generating a three-dimensional structure.
doi:10.1107/S1600536812034538
PMCID: PMC3435596  PMID: 22969469
13.  Bis(2-amino-5-benzyl-3-eth­oxy­carbonyl-4,5,6,7-tetra­hydro­thieno[3,2-c]pyridin-5-ium) bis­(4-meth­oxy­phen­yl)di­phos­phon­ate 
The asymmetric unit of the title salt, 2C17H21N2O2S+·C14H14O7P2 2−, contains half of a centrosymmetric bis­(4-meth­oxy­phen­yl)di­phospho­nate anion and one 2-amino-5-benzyl-3-eth­oxy­carbonyl-4,5,6,7-tetra­hydro­thieno[3,2-c]pyri­din-5-ium cation. In the anion, the O atoms of the di­phospho­nate group are disordered over two positions with equal occupancies. In the cation, the ethyl group is disordered over two orientations with a refined occupancy ratio of 0.753 (5):0.247 (5), and the tetra­hydro­pyridinium ring adopts a distorted half-chair conformation. In the crystal, the ions are linked by C—H⋯O, N—H⋯O and C—H⋯S hydrogen bonds into a three-dimensional network.
doi:10.1107/S1600536814003766
PMCID: PMC3998403  PMID: 24765038
14.  1-(Ferrocen-1-ylmeth­yl)-3-methyl­imidazol-3-ium iodide 
The structure of the title compound, [Fe(C5H5)(C10H12N2)]I, consists of a 1-(ferrocen-1-ylmeth­yl)-3-methyl­imidazolium cation which is counter-balanced by an iodide anion. The cyclo­penta­dienyl (Cp) rings of the ferrocene unit have a slightly staggered conformation skewed from an ideal eclipsed conformation by an angle of 3.5 (6)°. The inter­planar angle between the Cp and the imidazole ring is 67.94 (2)°.
doi:10.1107/S1600536812045400
PMCID: PMC3588731  PMID: 23468696
15.  Crystal structure of 2-aza­niumyl-3-bromo-6-oxo-5,6-di­hydro­pyrido[1,2-a]quinoxalin-11-ium dibromide 
The title salt, C12H10BrN3O2+·2Br−, was synthesized from the reaction of N 1,N 4-bis­(pyridin-2-yl­methyl­idene)benzene-1,4-di­amine and bromine in a methanol solution. All non-H atoms of the 2-aza­niumyl-3-bromo-6-oxo-5,6-di­hydro­pyrido[1,2-a]quinoxalin-11-ium cation are nearly coplanar, the maximum deviation being 0.114 (4) Å. In the crystal, the cations and anions are linked through N—H⋯Br hydrogen bonds and weak C—H⋯Br inter­actions, forming a three-dimensional supra­molecular architecture. A short Br⋯Br contact [3.3088 (9) Å] is observed in the crystal.
doi:10.1107/S2056989014026127
PMCID: PMC4331889
crystal structure; bromide; pyrido[1,2-a]quinoxalin-11-ium; C—H⋯Br inter­actions
16.  1,4,10,13-Tetra­oxa-7,16-diazo­nia­cyclo­octa­decane bis­(1H-pyrrole-2-carboxyl­ate) 
In the title salt, C12H28N2O4 2+·2C5H4NO2 −, the 1,4,10,13-tetra­oxa-7,16-di­aza­cyclo­octa­decane dication possesses inversion symmetry. In the crystal, the pyrrole-carboxyl­ate anions are linked via pairs of N—H⋯O hydrogen bonds, forming inversion dimers. These dimers are linked by the dications, via N—H⋯O hydrogen bonds, forming chains propagating along [110].
doi:10.1107/S1600536813016176
PMCID: PMC3770382  PMID: 24046667
17.  (3R,4S)-3-Methyl-4-phenyl-2-[(R)-1-phenyl­eth­yl]-3,4-di­hydro­isoquinolin-2-ium tetra­fluorido­borate 
The title salt, C24H24N+·BF4 −, is one of two possible dias­tereoisomers having a different configuration of the asymmetric centre in the α-phenyl­ethyl substituent, whose absolute configuration was established to be R. The two phenyl substituents of the cation have a cofacial orientation, albeit with a long centroid–centroid separation of 4.129 (3) Å. The crystal structure exhibits numerous C—H⋯F contacts between counter-ions, with the tetra­fluorido­borate anion surrounded by five iminium cations.
doi:10.1107/S160053681400230X
PMCID: PMC3998414  PMID: 24764972
18.  (C-meso-N-meso-5,12-Dimethyl-7,14-diphenyl-1,4,8,11-tetra­aza­cyclo­tetra­deca-4,11-diene)nickel(II) bis­[O,O′-bis­(4-methyl­phen­yl) dithio­phosphate] 
The title complex, [Ni(C24H32N4)](C14H14O2PS2)2, comprises a centrosymmetric [Ni(meso-diphen­yl[14]dien)]2+ dication (meso-diphen­yl[14]dien is C-meso-N-meso-5,12-dimethyl-7,14-diphenyl-1,4,8,11-tetra­aza­cyclo­tetra­deca-4,11-diene) and two O,O′-bis­(4-methyl­phen­yl) dithio­phosphate anions. The NiII ion lies on an inversion center and is chelated by a tetra­amine macrocycle ligand in a slightly distorted NiN4 square-planar geometry. Two S atoms from symmetry-related anions are located in pseudo-axial positions with respect to the NiII ion, with Ni⋯S distances of 3.1869 (8) Å. In the crystal, bifurcated inter­molecular N—H⋯S(S) hydrogen bonds connect cations and pairs of anions into three-component clusters. Weak inter­molecular C—H⋯S hydrogen bonds link these clusters into chains along [100].
doi:10.1107/S160053681004849X
PMCID: PMC3011755  PMID: 21589325
19.  (1,2-Dicarba-closo-dodeca­boran­yl)trimethyl­methanaminium iodide 
The title compound, [1-(CH3)3NCH2-1,2-C2B10H11]+·I− or C6H22B10N+·I−, was obtained by the reaction of (1,2-dicarba-closo-dodeca­boran­yl)dimethyl­methanamine with methyl iodide. The asymmetric unit contains two iodide anions and two (o-carboran­yl)tetra­methyl­ammonium cations. The bond lengths and angles in the carborane cage are within normal ranges, but the N—Cmethyl­ene—Ccage angle is very large [120.2 (2)°] because of repulsion between the carborane and tetra­methyl­ammonium units. In the crystal, ions are linked through C—H⋯I hydrogen bonds.
doi:10.1107/S160053681102928X
PMCID: PMC3213586  PMID: 22091163
20.  Ethyl 23-benzyl-8,11,14-trioxa-23,28,29-triaza­penta­cyclo­[19.7.1.02,7.015,20.022,27]nona­cosa-2,4,6,15(20),16,18,21,26-octa­ene-26-carboxyl­ate 
The title compound, C33H35N3O5, is the product of the multicomponent condensation of 1-benzyl-4-eth­oxy­carbonyl­piperidin-3-one with 1,5-bis­(2-formyl­phen­oxy)-3-oxapentane and ammonium acetate. The mol­ecule comprises a penta­cyclic system containing the aza-14-crown-4-ether macrocycle, tetra­hydro­pyrimidine, tetra­hydro­pyridine and two benzene rings. The aza-14-crown-4-ether ring adopts a bowl conformation with a dihedral angle of 62.37 (5)° between the benzene rings. The tetra­hydro­pyrimidine ring has an envelope conformation with the chiral C atom as the flap, whereas the tetra­hydro­pyridine ring adopts a distorted chair conformation. Two amino groups are involved in intra­molecular N—H⋯O hydrogen bonds. In the crystal, weak C—H⋯O hydrogen bonds link the mol­ecules into layers parallel to the ab plane.
doi:10.1107/S1600536813007241
PMCID: PMC3629615  PMID: 23634102
21.  2,3,5-Triphenyl-2H-tetra­zol-3-ium tetra­phenyl­borate 
In the title salt, C19H15N4 +·C24H20B−, the tetra­phenyl­borate anion is in a tetra­hedral geometry around the B atom [C—B—C angles of 107.10 (9)–111.79 (9)°]. In the cation, the tetra­zole ring makes dihedral angles of 3.04 (7), 51.75 (7) and 51.13 (7)° with the attached phenyl rings. In the crystal, C—H⋯π inter­actions link the cations and anions into ion pairs.
doi:10.1107/S1600536812032941
PMCID: PMC3415008  PMID: 22904995
22.  Bis(nitrato-κO)(5,7,12,14-tetra­methyl-1,4,8,11-tetra­aza­cyclo­tetra­decane-6,13-diaminium-κ4 N 1,N 4,N 8,N 11)copper(II) dinitrate tetra­hydrate 
In the title compound, [Cu(NO3)2(C14H36N6)](NO3)2·4H2O, the CuII atom, lying on an inversion center, is six-coordinated in a distorted octa­hedral environment by four N atoms from a centrosymmetric 14-membered tetra­aza­cyclo­tetra­decane macrocyclic ligand and two O atoms from two nitrate anions. The supra­molecular network is consolidated by extensive O—H⋯O and N—H⋯O hydrogen-bonding inter­actions.
doi:10.1107/S1600536810023342
PMCID: PMC3006849  PMID: 21587749
23.  A crystallographically isolated dimeric hydrolyzed chloro­phosphazene dianion 
Single crystals of the title compound bis[bis­(1-ethyl-3-methyl-imidazol-2-yl­idene)silver(I)] 1,5,5,7,11,11-hexa­chloro-2,8-di­oxa-4,6,10,12,13,14-hexa­aza-1λ5,3,5λ5,7λ5,9,11λ5-hexa­phospha­tricyclo­[7.3.1.13,7]tetra­deca-1(13),4,7(14),10-tetra­ene-6,12-diide 3,9-dioxide, [Ag(C6H10N2)2](Cl6N6O4P6)0.5, were isolated from the reaction of the silver N-heteocyclic carbene complex [Ag(C6H10N2)2]Cl and hexa­chloro­cyclo­triphos­phazene [NPCl2]3 in the presence of water. The asymmetric unit contains one silver carbene cation with the carbene ligands bound to the Ag(I) in an almost linear arrangement and one half of a hydrolyzed phosphazene dianion. The second cation and additional half of the anion are generated by an inversion center.
doi:10.1107/S1600536808042116
PMCID: PMC2968009  PMID: 21581471
24.  1-[6-(3,5-Di­methyl­pyrazol-1-yl)-1,2,4,5-tetra­zin-3-yl]guanidin-2-ium perchlorate methanol monosolvate 
In the title solvated salt, C8H12N9 +·ClO4 −·CH3OH, the dihedral angle between the tetra­zine and pyrazole rings is 26.05 (7)°. The two N atoms bonded to the 1,2,4,5-tetra­zine ring deviate from the plane defined by its four N atoms by 0.234 (2) and 0.186 (2) Å. There is an intra­molecular N—H⋯N hydrogen bond between the protonated guanidine fragment and one of the tetra­zine N atoms. In the crystal, two cations and two perchlorate anions are connected via N—H⋯O hydrogen bonds into centrosymmetric assemblies. These assemblies are further linked into a two-dimensional network parallel to (100) via bifurcated O—H⋯(N,N) hydrogen bonds formed with the bridging methanol mol­ecules.
doi:10.1107/S1600536813020448
PMCID: PMC3793816  PMID: 24109403
25.  Bis(dimethyl­ammonium) 3,3′-dicarb­oxy-5,5′-(5,7,12,14-tetra­oxo-6,13-diaza­tetra­cyclo­[6.6.2.04,16.011,15]hexa­deca-1,3,8,10,15-penta­ene-6,13-di­yl)dibenzoate dihydrate 
The title compound, 2C2H8N+·C30H12N2O12 2−·2H2O, comprises dimethyl­ammonium cations, 3,3′-dicarb­oxy-5,5′-(5,7,12,14-tetra­oxo-6,13-diaza­tetra­cyclo­[6.6.2.04,16.011,15]hexa­deca-1,3,8,10,15-penta­ene-6,13-di­yl)dibenzoate dianions and water mol­ecules. The dianion is situated on a crystallographic inversion centre. Two very strong symmetry-restricted O⋯H⋯O hydrogen bonds are present which are situated about the crystallographic inversion centres. In one of these hydrogen bonds, the H atom is situated at its centre, while in the other one the H atom is disordered about its centre. Both H atoms are involved in the chain-like C 2 2(16) motif, and not in a more common motif R 2 2(8) that is composed of a pair of hydrogen carboxyl­ates with the H atoms situated about the centre between the pair of O atoms. In the crystal, inter­action of these hydrogen bonds results in formation of anionic layers of dianions parallel to (-111). The water mol­ecules donate their H atoms to one of two of the carboxyl­ate O atoms, forming strong hydrogen bonds. The dimethyl­ammonium donates a bifurcated hydrogen bond to an oxo group of the dianion, forming weak hydrogen bonds. All the hydrogen bonds form a three-dimensional hydrogen-bonded network.
doi:10.1107/S1600536812025470
PMCID: PMC3393979  PMID: 22798844

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