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1.  1,1′,4,5-Tetra­hydro­tri­spiro­[1,3,2-di­aza­phosphole-2,2′-[1,3,5,2,4,6]tri­aza­triphosphinine-4′,6′′-dibenzo[d,f][1,3,2]dioxaphosphepine-6′,6′′′-dibenzo[d,f][1,3,2]dioxaphosphepine] acetone monosolvate 
The title compound, C26H22N5O4P3·C3H6O, has been achieved in a two-step synthesis that does not require chromatography. This mol­ecule contains a seven-membered spiro­cyclic ring at two P-atom positions and a five-membered ring containing new P—N bonds at the other P-atom position. Endocyclic torsion angles about the central biphenyl C—C bonds are −41.5 (3) and −44.4 (3)°, and P—N bonds of the central P3N3 ring are within the range 1.5665 (17)–1.6171 (17) Å, while the P—O distances are in the range 1.5940 (14)–1.6041 (14) Å. One N—H group makes an inter­molecular N—H⋯N hydrogen bond, forming centrosymmetric dimers, while the other N—H group makes an N—H⋯O hydrogen bond to the acetone solvent mol­ecule. The crystal was a two-component non-merohedral twin with ratio 0.811/0.189.
doi:10.1107/S1600536813023830
PMCID: PMC3884451  PMID: 24427109
2.  2-(4-Methyl­pyridin-2-yl)-4′,4′,6′,6′-tetra­kis­(pyrrolidin-1-yl)-1H,2H-spiro­[naphtho­[1,2-e][1,3,2]oxaza­phosphinine-3,2′-[1,3,5,2,4,6]tri­aza­triphosphinine] 
In the title spiro-phosphazene derivative, C33H46N9OP3, the phosphazene and six-membered N/O rings are in flattened chair and twisted-boat conformations, respectively. The naphthalene ring system and the pyridine ring are oriented at a dihedral angle of 41.82 (4)°. In the crystal, weak C—H⋯O hydrogen bonds link the mol­ecules related by translation along the a axis into chains. C—H⋯π inter­actions aggregate these chains into layers parallel to the ab plane.
doi:10.1107/S1600536813014220
PMCID: PMC3685126  PMID: 23795145
3.  4′,4′,6′,6′-Tetra­chloro-2-(6-methyl­pyridin-2-yl)-1H,2H-spiro­[naphtho­[1,2-e][1,3,2]oxaza­phosphinine-3,2′-[1,3,5,2,4,6]tri­aza­triphosphinine] 
The title compound, C17H14Cl4N5OP3, is a spiro-phosphazene derivative with bulky naphthalene and pyridine rings. The phosphazene and the six-membered N/O rings are in flattened-boat and twisted-boat conformations, respectively. The naphthalene ring system and the pyridine ring are oriented at a dihedral angle of 18.06 (8)°. In the crystal, weak π–π stacking between the pyridine rings and between the pyridine rings and the naphthalene ring system [centroid–centroid distances = 3.594 (2) and 3.961 (2) Å, respectively] occur. Weak C—H⋯π inter­actions are also observed. These interactions link the molecules into a three-dimensional supramolecular network.
doi:10.1107/S1600536813012348
PMCID: PMC3685025  PMID: 23795044
4.  [μ-2,2,4,4,6,6-Hexakis(3,5-dimethyl­pyrazol-1-yl)-2λ5,4λ5,6λ5-1,3,5,2,4,6-triaza­triphosphinine]bis­[bis­(nitrato- κ2 O,O′)cadmium(II)] 
The complete title complex, [Cd2(NO3)4(C30H42N15P3)], is generated by crystallographic twofold symmetry, with one P and one N atom of the cyclo­triphosphazene ligand located on the rotation axis. The non-planar cyclo­triphosphazene ring accommodates two Cd ions, and only four out of six exocylcic pyrazolyl ligands are bound to the Cd metal atoms. Each of these two symmetry-related Cd atoms is coordinated by two bidentate nitrato ligands, two exocylic pyrazolyl N atoms, and one cyclo­triphosphazene N atom.
doi:10.1107/S160053680803585X
PMCID: PMC2959902  PMID: 21581131
5.  [μ3-2,2,4,4,6,6-Hexakis(3,5-dimethyl­pyrazol-1-yl)-2λ5,4λ5,6λ5-1,3,5,2,4,6-triaza­triphosphinine]tris­[cis-dichloridopalladium(II)] 
The title complex, [Pd3Cl6(C30H42N15P3)], possesses C 3 mol­ecular symmetry. The P and N atoms of the cyclo­triphosphazene and the Pd atom are located on the crystallographic mirror plane. Each of the three symmetry-related Pd atoms is coordinated by two chloride ligands and two exocyclic pyrazolyl N atoms, but not by the cyclo­triphosphazene N atoms.
doi:10.1107/S1600536808023167
PMCID: PMC2961992  PMID: 21203062
6.  [N-(1-Aza­nidyl-2,2,2-trichloro­ethyl­idene)-2,2,2-trichloro­ethanimidamide]­copper(II) 
The title compound, [Cu(C4H2Cl6N3)2], was obtained by the reaction of CCl3CN with ammonia in presence of CuCl. The CuII atom is located about an inversion centre. The mol­ecule consists of three planar units (one central square CuN4 and two C2N3 fragments), adopting a staircase-like structure. The six-membered metallocycles have a sofa conformation with the Cu atom out of the plane of the 1,3,5-triaza­penta­dienyl ligands by 0.246 (5) Å. The ipso-C atoms of the CCl3 substituents are slightly out of the 1,3,5-triaza­penta­dienyl planes by 0.149 (6) and −0.106 (6) Å. The CCl3 groups of each 1,3,5-triaza­penta­dienyl ligand are practically in the energetic­ally favourable mutually eclipsed conformation. In the crystal, the mol­ecules are packed in stacks along the a axis. The mol­ecules in the stacks are held together by two additional axial Cu⋯Cl inter­actions of 3.354 (2) Å. Taking the axial Cu⋯Cl inter­actions into account, the CuII atom exhibits a distorted [4 + 2]-octa­hedral coordination environment. The stacks are bound to each other by weak inter­molecular attractive Cl⋯Cl [3.505 (2)–3.592 (3) Å] inter­actions.
doi:10.1107/S1600536812036124
PMCID: PMC3435628  PMID: 22969501
7.  2-Amino-5-methyl­pyridinium 2-carb­oxy­benzoate 
In the title salt, C6H9N2 +·C8H5O4 −, the hydrogen phthalate anion is essentially planar, with a maximum deviation of 0.011 (2) Å. In the crystal structure, the protonated N atom of the pyridine ring and the 2-amino group of the cation are hydrogen bonded to the carboxyl­ate O atoms of the anion via a pair of N—H⋯O hydrogen bonds, forming an R 2 2(8) ring motif. In the hydrogen phthalate anion, there is a very strong, almost symmetric, intra­molecular O—H⋯O hydrogen bond, generating an S(7) motif [O⋯O = 2.382 (3) Å]. Furthermore, these two molecular motif rings are connected by a bifurcated N—H⋯(O,O) hydrogen-bonded motif R 1 2(4), forming a supra­molecular ribbon along the b axis. The crystal structure is further stabilized by π–π inter­actions between the cations and anions [centroid–centroid distance = 3.6999 (10) Å].
doi:10.1107/S160053681003000X
PMCID: PMC3008103  PMID: 21588569
8.  2-Amino-4-methyl­pyridinium (E)-3-carb­oxy­prop-2-enoate 
In the title salt, C6H9N2 +·C4H3O4 −, the dihedral angle between the pyridine ring and the plane formed by the hydrogen fumarate anion is 85.67 (6)°. Excluding the amino and methyl groups, the atoms of the cation are coplanar, with a maximum deviation of 0.005 (1) Å. In the crystal structure, the protonated N atom and the 2-amino group of the cation are hydrogen bonded to the carboxyl­ate O atoms of the anion via a pair of N—H⋯O hydrogen bonds, forming an R 2 2(8) ring motif. These motifs are further connected through N—H⋯O and C—H⋯O hydrogen bonds, leading to a supra­molecular chain along the c axis. These chains are further cross-linked via a pair of O—H⋯O hydrogen bonds involving centrosymmetrically related hydrogen fumarate anions, forming a two-dimensional network parallel to (101). These planes are further interconnected by O—H⋯O interactions into a three-dimensional network.
doi:10.1107/S1600536810026292
PMCID: PMC3007340  PMID: 21588284
9.  2-Amino-5-chloro­pyridinium 2-carb­oxy­acetate 
The title salt, C5H6ClN2 +·C3H3O4 −, contains two cations and two anions in the asymmetric unit. Both 2-amino-5-chloro­pyridinium ions are protonated at their pyridine N atoms and both hydrogen malonate ions feature an intra­molecular O—H⋯O hydrogen bond, which generates an S(6) ring motif and results in a folded conformation. In the crystal structure, the cations and anions are linked via N—H⋯O, O—H⋯O and C—H⋯O hydrogen bonds, forming chains propagating in [010], which are cross-linked by further C—H⋯O inter­actions.
doi:10.1107/S1600536810019677
PMCID: PMC2979552  PMID: 21579558
10.  2-Amino-6-methyl­pyridinium 2,2,2-tri­chloro­acetate 
In the asymmetric unit of the title mol­ecular salt, C6H9N2 +·C2Cl3O2 −, there are two independent 2-amino-6-methyl­pyridinium cations and two independent tri­chloro­acetate anions. The pyridine N atom of the 2-amino-6-methyl­pyridine mol­ecule is protonated and the geometries of these cations reveal amine–imine tautomerism. Both protonated 2-amino-6-methyl­pyridinium cations are essentially planar [maximum deviations = 0.026 (2) and 0.012 (2) Å]. In the crystal, the protonated N atom and the 2-amino group of the cation are hydrogen bonded to the carboxyl­ate O atoms of the anion via a pair of N—H⋯O hydrogen bonds, forming an R 2 2(8) ring motif. These motifs are connected via N—H⋯O and C—H⋯O hydrogen bonds to form slabs parallel to (101).
doi:10.1107/S1600536814004553
PMCID: PMC3998557  PMID: 24826114
11.  2-Amino-5-chloro­pyridinium (Z)-3-carb­oxy­prop-2-enoate 0.25-hydrate 
In the title hydrated salt, C5H6ClN2 +·C4H3O4 −·0.25H2O, the water O atom lies on a twofold axis with 0.25 occupancy. The 2-amino-5-chloro­pyridinium cation is almost planar, with a maximum deviation of 0.015 (3) Å. In the hydrogen malate anion, an intra­molecular O—H⋯O hydrogen bond generates an S(7) ring and results in a folded conformation. In the crystal, the protonated N atom and the 2-amino group of the cation are hydrogen bonded to the carboxyl­ate O atoms of the anion via a pair of N—H⋯O hydrogen bonds, forming an R 2 2(8) ring motif. The ion pairs are further connected via O—H⋯O, N—H⋯O and C—H⋯O hydrogen bonds, forming layers parallel to the ab plane which stack down the c axis.
doi:10.1107/S1600536810033507
PMCID: PMC3008003  PMID: 21588777
12.  2-Amino-5-methyl­pyridinium 2-hy­droxy-5-chloro­benzoate 
In the 5-chloro­salicylate anion of the title salt, C6H9N2 +·C7H4ClO3 −, an intra­molecular O—H⋯O hydrogen bond with an S(6) graph-set motif is observed and the dihedral angle between the benzene ring and the –CO2 group is 1.6 (6)°. In the crystal, the protonated N atom and the 2-amino group of the cation are hydrogen bonded to the carboxyl­ate O atoms via a pair of N—H⋯O hydrogen bonds, forming an R 2 2(8) ring motif. The crystal structure also features N—H⋯O and weak C—H⋯O inter­actions, resulting in a layer parallel to (10-1).
doi:10.1107/S160053681205101X
PMCID: PMC3588363  PMID: 23476391
13.  2-Amino-5-bromo­pyridinium 5-chloro-2-hy­droxy­benzoate 
In the 5-chloro­salicylate anion of the title salt, C5H6BrN2 +·C7H4ClO3 −, an intra­molecular O—H⋯O hydrogen bond with an S(6) graph-set motif is formed, so that the anion is essentially planar with a dihedral angle of 1.3 (5)° between the benzene ring and the carboxyl­ate group. In the crystal, the protonated N atom and the 2-amino group of the cation are hydrogen bonded to the carboxyl­ate O atoms via a pair of N—H⋯O hydrogen bonds, forming an R 2 2(8) ring motif. The crystal structure also features N—H⋯O and weak C—H⋯O inter­actions, resulting in a layer parallel to the (10-1) plane.
doi:10.1107/S160053681300665X
PMCID: PMC3629591  PMID: 23634078
14.  2-Amino-5-chloro­pyridinium salicylate 
In the crystal structure of the title salt, C5H6ClN2 +·C7H5O3 −, the protonated N atom and the 2-amino group of the cation are hydrogen bonded to the carboxyl­ate O atoms via a pair of N—H⋯O hydrogen bonds, forming R 2 2(8) ring motifs. These motifs are centrosymmetrically paired via N—H⋯O hydrogen bonds, forming a complementary donor–donor–acceptor–acceptor (DDAA) array. A typical intra­molecular O—H⋯O hydrogen bond is also observed in the salicylate anion. The crystal structure is further stabilized by weak C—H⋯π inter­actions.
doi:10.1107/S1600536810018210
PMCID: PMC2979380  PMID: 21579496
15.  2-Acetyl­pyridinium 3-amino-2-chloro­pyridinium tetra­chloridocobaltate(II) 
In the title complex, (C5H6ClN2)(C7H8NO)[CoCl4], the CoII ions are tetra­hedrally coordinated. The crystal structure is built from hydrogen-bonded centrosymmetric tetra­mers of tetra­chloridocobaltate(II) dianions and 3-amino-2-chloro­pyridinium cations, additionally strengthened by significant π–π stacking of pyridinium rings [interplanar distance 3.389 (3) Å]. The tetra­mers are linked by N—H⋯Cl hydrogen bonds into chains; the second kind of cations, viz. 2-acetyl­pyridinium, are connected by N—H⋯Cl hydrogen bonds to both sides of the chain. The Co—Cl bond lengths in the dianion correlate with the number of hydrogen bonds accepted by the Cl atom. An intramolecular C—H⋯Cl interaction is also present.
doi:10.1107/S1600536809000713
PMCID: PMC2968359  PMID: 21581781
16.  2-Amino-5-bromo­pyridinium 3-amino­benzoate 
In the title salt, C5H6BrN2 +·C7H6NO2 −, the pyridine N atom of the 2-amino-5-bromo­pyridine mol­ecule is protonated. In the crystal, the protonated N atom and the 2-amino group are hydrogen-bonded to the carboxyl­ate O atoms via a pair of N—H⋯O hydrogen bonds, forming an R 2 2(8) ring motif. Two inversion-related 3-amino­benzoate anions are linked through N—H⋯O hydrogen-bonds, forming an R 2 2(14) ring motif. The crystal structure is further stabilized by π⋯π inter­actions involving the benzene and pyridinium rings with a centroid–centroid distance of 3.7743 (15) Å.
doi:10.1107/S1600536810006288
PMCID: PMC2983620  PMID: 21580412
17.  2-Amino-5-bromo­pyridinium 3-carb­oxy­prop-2-enoate 
In the title salt, C5H6BrN2 +·C4H3O4 −, the 2-amino-5-bromo­pyridinium cation and hydrogen maleate anion are planar, with maximum deviations from their mean planes of 0.016 (1) and 0.039 (1) Å, respectively. An intra­molecular O—H⋯O hydrogen bond generates an S(7) ring motif in the anion. In the crystal, the protonated N atom and the 2-amino group of the cation are hydrogen-bonded to the carboxyl­ate O atoms of the anion via a pair of N—H⋯O hydrogen bonds, forming an R 2 2(8) ring motif. The motifs are linked into a two-dimensional network parallel to (011) by N—H⋯O and C—H⋯O hydrogen bonds.
doi:10.1107/S1600536810030059
PMCID: PMC3007912  PMID: 21588574
18.  2-Amino-5-methyl­pyridinium 2-amino­benzoate 
In the 2-amino­benzoate anion of the title salt, C6H9N2 +·C7H6NO2 −, an intra­molecular N—H⋯O hydrogen bond is observed. The dihedral angle between the ring and the CO2 group is 8.41 (13)°. In the crystal, the protonated N atom and the 2-amino group of the cation are hydrogen bonded to the carboxyl­ate O atoms via a pair of N—H⋯O hydrogen bonds, forming an R 2 2(8) ring motif. The ion pairs are further connected via N—H⋯O hydrogen bonds, resulting in a donor–donor–acceptor–acceptor (DDAA) array of quadruple hydrogen bonds. The crystal structure also features a weak N—H⋯O hydrogen bond and a C—H⋯π inter­action, resulting in a three-dimensional network.
doi:10.1107/S1600536812043243
PMCID: PMC3515287  PMID: 23284507
19.  2-Amino-6-methyl­pyridinium 4-methyl­benzene­sulfonate 
In the asymmetric unit of the title salt, C6H9N2 +·C7H7O3S−, there are two independent 2-amino-6-methyl­pyridinium cations and two independent 4-methyl­benzene­sulfonate anions. Both cations are protonated at their pyridine N atoms and their geometries reveal amine–imine tautomerism. In the 4-methyl­benzene­sulfonate anions, the carboxyl­ate groups are twisted out of the benzene ring planes by 88.4 (1) and 86.2 (2)°. In the crystal, the sulfonate O atoms of an anion inter­act with the protonated N atoms and the 2-amino groups of a cation via a pair of N—H⋯O hydrogen bonds, forming an R 2 2(8) ring motif. These motifs are connected via N—H⋯O hydrogen bonds, forming chains running along the a-axis direction. Within the chains there are weak C—H⋯O hydrogen bonds present. In addition, aromatic π–π stacking inter­actions [centroid–centroid distances = 3.771 (2), 3.599 (2), 3.599 (2) and 3.497 (2) Å] involving neighbouring chains are also observed.
doi:10.1107/S1600536814008587
PMCID: PMC4011207  PMID: 24860395
20.  2-Amino-5-methyl­pyridinium 4-chloro­benzoate 
The 4-chloro­benzoate anion of the title salt, C6H9N2 +·C7H4ClO2 −, is nearly planar with a dihedral angle of 5.14 (16)° between the benzene ring and the carboxyl­ate group. In the crystal, the protonated N atom and the 2-amino group of the cation are hydrogen bonded to the carboxyl­ate O atoms of the anion via a pair of N—H⋯O hydrogen bonds with an R 2 2(8) ring motif. The ion pairs are further connected via N—H⋯O and weak C—H⋯O hydrogen bonds, forming a two-dimensional network parallel to the bc plane. The crystal structure also features a π–π stacking inter­action between the pyridinium and benzene rings with a centroid–centroid distance of 3.7948 (9) Å.
doi:10.1107/S1600536812051021
PMCID: PMC3588320  PMID: 23476392
21.  2,3-Diamino­pyridinium 3-amino­benzoate 
In the title salt, C5H8N3 +·C7H6NO2 −, the pyridine N atom of the 2,3-diamino­pyridine mol­ecule is protonated. The proton­ated N atom and one of the two N atoms of the 2-amino groups are hydrogen bonded to the 3-amino­benzoate anion through a pair of N—H⋯O hydrogen bonds, forming an R 2 2(8) ring motif. The carboxyl­ate mean plane of the 3-amino­benzoate anion is twisted by 8.81 (7)° from the attached ring. The crystal structure is further stabilized by π–π inter­actions [centroid–centroid distance 3.6827 (7) Å].
doi:10.1107/S1600536809024362
PMCID: PMC2977358  PMID: 21583446
22.  2,3-Diamino­pyridinium (2E,4E)-hexa-2,4-dienoate 
In the title salt, C5H8N3 +·C6H7O2 −, the pyridine N atom of the 2,3-diamino­pyridine mol­ecule is protonated. The 2,3-diamino­pyridinium cation is essentially planar, with a maximum deviation of 0.068 (2) Å for one of the amino N atoms. The sorbate anion adopts an extended conformation. In the crystal structure, the protonated N atom and one of the two amino-group H atoms are hydrogen bonded to the sorbate anion through a pair of N—H⋯O hydrogen bonds, forming an R 2 2(8) ring motif. The ion pairs are further connected via inter­molecular N—H⋯O and C—H⋯O hydrogen bonds, forming two-dimensional networks parallel to (100).
doi:10.1107/S1600536810032617
PMCID: PMC3007997  PMID: 21588709
23.  2,3-Diamino­pyridinium 4-hydroxy­benzoate 
In the title compound, C5H8N3 +·C7H5O3 −, the pyridine N atom is protonated. In the 4-hydroxy­benzoate anion, the carboxyl­ate group is twisted slightly out of the benzene ring plane by an angle of 3.77 (5)°. The protonated N atom and one of the two amino groups are hydrogen-bonded to the 4-hydroxy­benzoate anion through a pair of N—H⋯O hydrogen bonds, forming an R 2 2(8) ring motif. The crystal structure is further stabilized by O—H⋯O and C—H⋯O hydrogen bonds and π–π inter­actions involving the pyridinium rings [centroid–centroid distance of 3.6277 (5) Å], leading to the formation of a three-dimensional network.
doi:10.1107/S1600536809020832
PMCID: PMC2969455  PMID: 21582796
24.  2-Amino-5-methyl­pyridinium 3-chloro­benzoate 
The 3-chloro­benzoate anion of the title salt, C6H9N2 +·C7H4ClO2 −, is nearly planar with a dihedral angle of 2.44 (13)° between the benzene ring and the carboxyl­ate group. In the crystal, the protonated N atom and the 2-amino group of the cation are hydrogen bonded to the carboxyl­ate O atoms of the anion via a pair of N—H⋯O hydrogen bonds with an R 2 2(8) ring motif, forming an approximately planar ion pair with a dihedral angle of 7.92 (5)° between the pyridinium and benzene rings. The ion pairs are further connected via N—H⋯O and C—H⋯O hydrogen bonds, forming a two-dimensional network parallel to the bc plane.
doi:10.1107/S1600536812043231
PMCID: PMC3515286  PMID: 23284506
25.  2-Amino-5-methyl­pyridinium 2-hydr­oxy-3,5-dinitro­benzoate 
In the title mol­ecular salt, C6H9N2 +·C7H3N2O7 −, the 2-amino-5-methyl­pyridinium cation is essentially planar, with a maximum deviation of 0.023 (1) Å. There is an intra­molecular O—H⋯O hydrogen bond in the 3,5-dinitro­salicylate anion, which generates an S(6) ring motif. In the crystal, the protonated N atom and the 2-amino group are hydrogen bonded to the carboxyl­ate O atoms via a pair of N—H⋯O hydrogen bonds, forming an R 2 2(8) ring motif. Weak inter­molecular C—H⋯O inter­actions help to further stabilize the crystal structure.
doi:10.1107/S1600536810014480
PMCID: PMC2979276  PMID: 21579230

Results 1-25 (125230)