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1.  Crystal structure of dioxidobis(pentane-2,4-dionato-κ2 O,O′)[1-phenyl-3-(pyridin-4-yl)propane-κN]uranium(VI) 
[UO2(acac)2(ppp)] is constructed from one uran­yl(VI) unit, two anionic acetyl­acetonate (acac) ligands and one 1-phenyl-3-(pyridin-4-yl)propane (ppp) ligand. The U atom exhibits a UNO6 penta­gonal–bipyramidal coordination geometry; two uran­yl(VI) O atoms are located at the axial positions, whereas four O atoms from two chelating bidentate acac ligands and one N atom of a ppp ligand form the equatorial plane.
In the title compound, [UO2(C5H7O2)2(C14H15N)], the uran­yl(VI) unit ([O=U=O]2+) is coordinated to two acetyl­acetonate (acac) anions and one 1-phenyl-3-(pyridin-4-yl)propane (ppp) mol­ecule. The geometry around the U atom is UNO6 penta­gonal–bipyramidal; two uran­yl(VI) O atoms are located at the axial positions, whereas four O atoms from two chelating bidentate acac ligands and one N atom of a ppp ligand form the equatorial plane.
doi:10.1107/S2056989014026607
PMCID: PMC4331861
crystal structure; pentane-2,4-dionate; 1-phenyl-3-(pyridin-4-yl)propane; uranium(VI) complex
2.  2-Amino-3-methyl­pyridinium 2-amino-5-methyl­pyridinium sulfate monohydrate 
The asymmetric unit of the title compound, 2C6H9N2 +·SO4 2−·H2O, contains two isomeric protonated amino­methyl­pyridine cations, a sulfate anion and a solvent water mol­ecule. The cations are in the iminium tautomeric form. In the crystal structure, inter­molecular O—H⋯O, N—H⋯O and weak C—H⋯O hydrogen bonds link the components into a three-dimensional network. Additional stabilization is provided by weak π–π stacking inter­actions, with centroid–centroid distances of 3.758 (2) and 3.774 (1) Å.
doi:10.1107/S1600536809049241
PMCID: PMC2972034  PMID: 21578895
3.  Tetra­kis(2-amino-6-methyl­pyridinium) hexa­chloridobismuthate(III) chloride monohydrate 
The asymmetric unit of the title compound, (C6H9N2)4[BiCl6]Cl·H2O, contains four protonated 2-amino-6-methyl­pyridine (HAMP) cations and two-halves of two [BiCl6]3− anions, together with one water mol­ecule and one chloride anion. The BiIII atoms are hexa­coordinated by Cl atoms, forming distorted octa­hedral geometries. In the crystal structure, intra­molecular O—H⋯Cl and N—H⋯Cl, and inter­molecular O—H⋯Cl and N—H⋯O inter­actions link the mol­ecules into a three-dimensional network.
doi:10.1107/S1600536809025446
PMCID: PMC2977446  PMID: 21583350
4.  Tetra­kis(2-amino-4-methyl­pyridinium) cyclo-tetra-μ2-oxido-tetra­kis­[dioxido­vanadate(V)] tetra­hydrate 
The asymmetric unit of the title compound, (C6H9N2)4[V4O12]·4H2O, contains half of a [V4O12]4− anion, two 2-amino-4-methyl­pyridinium, (2a4mpH)+, cations and two water mol­ecules. One water mol­ecule is disordered over two sets of sites with equal occupancies and the H atoms for this mol­ecule were not included in the refinement. The cation lies on an inversion center with four tetra­hedral VO4 units each sharing two vertices, forming an eight-membered ring. In the crystal, the components are linked by inter­molecular N—H⋯O hydrogen bonds, forming a one-dimensional network along [100]. Further stabilization is provided by weak inter­molecular C—H⋯O hydrogen bonds. In addition, π–π stacking inter­actions with centroid–centroid distances of 3.5420 (18), 3.7577 (18) and 3.6311 (19) Å are observed.
doi:10.1107/S1600536811026912
PMCID: PMC3212164  PMID: 22090866
5.  catena-Poly[2-methyl­pyridinium [tungstate-di-μ-selenido-silver-di-μ-selenido] 2-methyl­pyridine monosolvate] 
The title compound, {(C6H8N)[AgWSe4]·C6H7N}n, consists of anionic [WAgSe4]n chains, 2-methyl­pyridinium cations and neutral 2-methyl­pyridine mol­ecules. The Se atoms bridge the Ag and W atoms, forming a polymeric chain extending along the b-axis direction. Both the Ag and W atoms are located on a twofold rotation axis and each metal atom is coordinated by four Se atoms in distorted tetra­hedral geometry. In the crystal, the 2-methyl­pyridinium cation and 2-methyl­pyridine mol­ecule are linked via N—H⋯N hydrogen bonding. Weak C—H⋯Se inter­actions link the organic components and polymeric anions into a three-dimensional architecture.
doi:10.1107/S1600536813028213
PMCID: PMC3884262  PMID: 24454038
6.  (E)-2-[4-(Dimethyl­amino)­styr­yl]-1-methyl­pyridinium triiodide 
The asymmetric unit of the title compound, C16H19N2 +·I3 −, contains a (E)-2-[4-(dimethyl­amino)­styr­yl)-1-methyl­pyrid­in­ium cation and half each of two triiodide anions. The complete triiodide anions are each generated by inversion symmetry. The planar cation has all of its eighteen non-H atoms situated on a mirror plane. In the crystal, the cations are stacked along the b axis by π–π inter­actions with a centroid–centroid distance of 3.5757 (13) Å. The triiodide anions are located between the cations. The crystal structure is further consolidated by short C⋯C [3.322 (9)–3.3952 (19) Å] contacts.
doi:10.1107/S1600536811028753
PMCID: PMC3213589  PMID: 22091166
7.  Bis­(2-amino-5-methyl­pyridinium) fumarate–fumaric acid (1/1) 
In the crystal structure of the title compound, C6H9N2 +·0.5C4H2O4 2−·0.5C4H6O4, the fumarate dianion and fumaric acid mol­ecule are located on inversion centres. The 2-amino-5-methyl­pyrimidinium cation inter­acts with the carboxyl­ate group of the fumarate anion through a pair of N—H⋯O hydrogen bonds, forming an R 2 2(8) ring motif. These motifs are centrosymmetrically paired via N—H⋯O hydrogen bonds, forming a complementary DDAA array. The carboxyl groups of the fumaric acid mol­ecules and the carboxyl­ate groups of the fumarate anions are hydrogen bonded through O—H⋯O hydrogen bonds, leading to a supra­molecular chain along [101]. The crystal structure is further stabilized by weak C—H⋯O hydrogen bonds.
doi:10.1107/S1600536810027960
PMCID: PMC3007292  PMID: 21588388
8.  Aqua­bis­(3,5-dimethyl-1H-pyrazole-κN 2)(oxydiacetato-κ3 O,O′,O′′)copper(II) dihydrate 
In the title compound, [Cu(C4H4O5)(C5H8N2)2(H2O)]·2H2O, the CuII cation assumes a distorted octa­hedral coordination geometry formed by two 3,5-dimethyl-1H-pyrazole ligands, one oxydiacetate (ODA) dianion and one coordinated water mol­ecule. The tridentate ODA ligand chelates to the Cu cation in a facial configuration with a longer Cu—O bond [2.597 (3) Å], and both chelating rings display envelope conformations. In the mol­ecule, the two pyrazole rings are twisted with respect to each other at a dihedral angle of 57.5 (3)°. Extensive inter­molecular O—H⋯O and N—H⋯O hydrogen bonding is present in the crystal structure.
doi:10.1107/S1600536811015169
PMCID: PMC3120427  PMID: 21754590
9.  4-Methyl­pyridinium 2-carb­oxy-4,5-dichloro­benzoate monohydrate 
In the structure of the 1:1 proton-transfer compound of 4-methyl­pyridine (γ-picoline) with 4,5-dichloro­phthalic acid, C6H8N+·C8H3Cl2O4 −·H2O, determined at 200 K, the 4,5-dichloro­phthalate anions are bridged by the water mol­ecule through O—H⋯Ocarbox­yl hydrogen bonds, giving zigzag chains which extend along the c-axis direction. The 4-methyl­pyridinium cations are linked to the chains through single N—H⋯Owater hydrogen bonds and occupy the voids within the chains in the one-dimensional structure. The anions have the common ‘planar’ conformation with a short intra­molecular O—H⋯Ocarbox­yl hydrogen bond.
doi:10.1107/S1600536810015503
PMCID: PMC2979372  PMID: 21579358
10.  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
11.  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
12.  2-Amino-5-methyl­pyridinium 3-carb­oxy-4-hy­droxy­benzene­sulfonate 
The asymmetric unit of the title salt, C6H9N2 +·C7H5O6S−, contains two crystallographically independent 2-amino-5-methylpyridinium cations and two sulfosalicylate anions. In the crystal structure, the sulfonate group of each 3-carb­oxy-4-hy­droxy­benzene­sulfonate anion inter­acts with the corresponding 2-amino-5-methyl­pyridinium cation via a pair of N—H⋯O hydrogen bonds, forming an R 2 2(8) ring motif. The ionic units are linked by N—H⋯O, O—H⋯O and C—H⋯O hydrogen bonds. Furthermore, the crystal structure is stabilized by π–π inter­actions between the benzene and pyridine rings [centroid–centroid distances = 3.5579 (8) and 3.8309 (8) Å]. There are also intra­molecular O—H⋯O hydrogen bonds in the anions, which generate S(6) ring motifs.
doi:10.1107/S1600536810029636
PMCID: PMC3007532  PMID: 21588438
13.  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
14.  2-Amino-5-methyl­pyridinium 4-carb­oxy­butano­ate 
In the title salt, C6H9N2 +·C5H7O4 −, the 2-amino-5-methyl­pyridinium cation is essentially planar, with a maximum deviation of 0.008 (1) Å. 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. The 4-carb­oxy­butano­ate anions are linked via O—H⋯O hydrogen bonds. The crystal structure is further stabilized by weak C—H⋯O inter­actions.
doi:10.1107/S1600536810024451
PMCID: PMC3006734  PMID: 21588042
15.  2-Amino-4-methyl­pyridinium 4-nitro­benzoate 
In the title salt, C6H9N2 +·C7H4NO4 −, the nitro group of the 4-nitro­benzoate anion is twisted by 7.66 (10)° from the attached ring. In the crystal structure, the 2-amino-4-methyl­pyridinium cations and 4-nitro­benzoate anions are linked via a pair of N—H⋯O hydrogen bonds to form a ribbon-like structure along the c axis. The ribbons are crosslinked into a three-dimensional framework by C—H⋯O hydrogen bonds.
doi:10.1107/S1600536810000693
PMCID: PMC2979821  PMID: 21579764
16.  2-Amino-4-methyl­pyridinium trifluoro­acetate 
The asymmetric unit of the title compound, C6H9N2 +·C2F3O2 −, contains two independent 2-amino-4-methyl­pyridinium cations and two independent trifluoro­acetate anions. The F atoms of both anions are disordered over two sets of sites, with site occupancies of 0.50 (3) and 0.50 (3) in one of the anions, and 0.756 (9) and 0.244 (9) in the other. In the crystal, the cations and anions are linked into chains along the b axis by N—H⋯O hydrogen bonds and these chains are cross-linked by C—H⋯O hydrogen bonds, forming a two-dimensional network lying parallel to (101). The crystal structure is further stabilized by π–π inter­actions between the pyridinium rings [centroid–centroid distances = 3.5842 (13) and 3.5665 (16) Å].
doi:10.1107/S1600536810008202
PMCID: PMC2984062  PMID: 21580622
17.  2-Amino-5-methyl­pyridinium picolinate 0.63-hydrate 
The asymmetric unit of the title compound, C6H9N2 +·C6H4NO2 −·0.63H2O, contains two crystallographically independent 2-amino-5-methyl­pyridinium cations, a pair of picolinate anions and two water mol­ecules, one with an occupancy of 0.25. Both the 2-amino-5-methyl­pyridine mol­ecules are protonated at the pyridine N atoms. In the crystal structure, the cations, anions and water mol­ecules are linked via N—H⋯O, N—H⋯N and O—H⋯O hydrogen bonds, as well as by C—H⋯O contacts, forming a chain along the b axis. In addition, weak π–π inter­actions are observed between pyridinium rings, with centroid–centroid distances of 3.5306 (13) Å.
doi:10.1107/S1600536810018180
PMCID: PMC2979649  PMID: 21579497
18.  2-Amino-5-methyl­pyridinium 2-hy­droxy­benzoate 
In the title compound, C6H9N2 +·C7H5O3 −, the protonated 2-amino-5-methyl­pyridinium cation and the 2-hy­droxy­benzoate anion are both essentially planar, with maximum deviations of 0.026 (2) and 0.034 (1) Å, respectively. The anion is stabilized by an intra­molecular O—H⋯O hydrogen bond, which forms an S(6) ring motif. In the solid state, the anions are linked to the cations via pairs of inter­molecular N—H⋯O hydrogen bonds forming R 2 2(8) ring motifs. The crystal structure is further stabilized by N—H⋯O and C—H⋯O inter­actions which link the mol­ecules into chains along [010]. A π–π stacking inter­action [centroid–centroid-distance = 3.740 (2) Å] is also observed.
doi:10.1107/S1600536810030928
PMCID: PMC3008107  PMID: 21588618
19.  4-[4-(4-Fluoro­phen­yl)-2-methyl-5-oxo-2,5-dihydro­isoxazol-3-yl]-1-methyl­pyridinium iodide–4-[3-(4-fluoro­phen­yl)-2-methyl-5-oxo-2,5-dihydro­isoxazol-4-yl]-1-methyl­pyridinium iodide (0.6/0.4) 
The crystal structure of the title compound, C16H16FN2O2 +·I−, was determined as part of a study of the biological activity of isoxazolone derivatives as p38 mitogen-activated protein kinase (MAPK) inhibitors. The X-ray crystal structure of 4-[4-(4-fluoro­phenyl)-2-methyl-5-oxo-2,5-dihydro­isoxazol-3-yl]-1-methyl­pyridinium iodide showed the presence of the regioisomer 4-[3-(4-fluoro­phenyl)-2-methyl-5-oxo-2,5-dihydro­isoxazol-4-yl]-1-methyl­pyridinium iodide. The synthesis of the former compound was achieved by reacting 4-(4-fluoro­phenyl)-3-(4-pyridyl)isoxazol-5(2H)-one after treatment with Et3N in dimethyl­formamide, with iodo­methane. The unexpected formation of the regioisomer could be explained by a rearrangement occurring via aziridine of the isoxazolone compound. The regioisomers have site occupancies of 0.632 (4)/0.368 (4). The two six members rings make a dihedral angle of 66.8 (2)°.
doi:10.1107/S1600536807055985
PMCID: PMC2915348  PMID: 21200862
20.  Bis(1-amino-4-methyl­pyridinium) bis­(1,2-dicyano­ethene-1,2-dithiol­ato-κ2 S,S′)nickelate(II) 
The asymmetric unit of the title compound, (C6H9N2)2[Ni(C4N2S2)2], contains one half of an [Ni(mnt)2]2− anion (mnt is maleonitrile­dithiol­ate or 1,2-dicyano­ethene-1,2-dithiol­ate) and one 1-amino-4-methyl­pyridinium cation. The NiII atom is located on an inversion centre. In the crystal structure, inter­molecular N—H⋯N hydrogen bonds link the mol­ecules.
doi:10.1107/S1600536808018886
PMCID: PMC2961888  PMID: 21202816
21.  Bis­(2-amino-6-methyl­pyridinium) tetra­bromido­cuprate(II) 
In the crystal structure of the title compound, (C6H9N2)2[CuBr4], the geometry around the Cu atom is inter­mediate between tetra­hedral (Td) and square planar (D4h). Each [CuBr4]2− anion is connected non-symmetrically to four surrounding cations through N—H⋯X (pyridine and amine proton) hydrogen bonds, forming chains of the ladder-type running parallel to the crystallographic b axis. These layers are further connected by means of offset face-to-face inter­actions (parallel to the a axis), giving a three-dimensional network. Cation π–π stacking [centroid separations of 3.69 (9) and 3.71 (1) Å] and Br⋯aryl inter­actions [3.72 (2) and 4.04 (6) Å] are present in the crystal structure. There are no inter­molecular Br⋯Br inter­actions.
doi:10.1107/S1600536808010647
PMCID: PMC2961314  PMID: 21202225
22.  2-[(E)-2-(4-Eth­oxy­phen­yl)ethen­yl]-1-methyl­pyridinium 4-chloro­benzene­sulfonate monohydrate1  
In the title compound, C16H18NO+·C6H4ClO3S−·H2O, the cation exists in an E configuration with respect to the ethenyl bond and is slightly twisted with a dihedral angle of 9.85 (5)° between the pyridinium and the benzene rings. The anion is inclined to the cation with the dihedral angles between the benzene ring of the anion and the pyridinium and benzene rings of the cation of 78.33 (6) and 68.73 (6)°, respectively. In the crystal, the cations and anions are arranged alternately into head-to-head ribbons along the c axis, with the cationic ribbons stacked along the b axis. The crystal is consolidated by O—H⋯O hydrogen bonds, weak C—H⋯O and C—H⋯π inter­actions. π–π inter­actions with centroid–centroid distances of 3.6111 (7) and 3.6466 (7) Å are also observed.
doi:10.1107/S1600536810053572
PMCID: PMC3051682  PMID: 21523166
23.  2-Amino-4-methyl­pyridinium 3-carb­oxy-4-hy­droxy­benzene­sulfonate monohydrate 
In the crystal structure of the title salt, C6H9N2 +·C7H5O6S−·H2O, the water mol­ecule acts as an acceptor of bifurcated N—H⋯O hydrogen bonds from the pyridinium H atom and one H atom of the 2-amino group, forming an R 2 1(6) ring. The 3-carb­oxy-4-hy­droxy­benzene­sulfonate anions self-assemble via O—H⋯O hydrogen bonds, leading to supra­molecular chains along the a axis. These chains and R 2 1(6) motifs are linked via O—H⋯O, N—H⋯O and C—H⋯O hydrogen bonds, forming a layer parallel to the ac plane. There is also an intra­molecular O—H⋯O hydrogen bond in the 3-carb­oxy-4-hy­droxy­benzene­sulfonate anion, generating an S(6) ring motif.
doi:10.1107/S1600536810028539
PMCID: PMC3007430  PMID: 21588389
24.  2-Amino-5-methyl­pyridinium 2-carb­oxy­acetate 
In the title mol­ecular salt, C6H9N2 +·C3H3O4 −, the cation is essentially planar, with a maximum deviation of 0.010 (3) Å. In the anion, an intra­molecular O—H⋯O hydrogen bond generates an S(6) ring and results in a folded conformation. In the crystal, the protonated NH group 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. Weak inter­molecular C—H⋯O inter­actions help to further stabilize the crystal structure.
doi:10.1107/S1600536810019239
PMCID: PMC2979470  PMID: 21579546
25.  (E)-2-[4-(Diethyl­amino)­styr­yl]-1-methyl­pyridinium 4-meth­oxy­benzene­sulfonate monohydrate 
In the cation of the title compound, C18H23N2 +·C7H7O4S−·H2O, one ethyl group of the diethyl­amino unit is disordered over two sets of sites in a 0.665 (6):0.335 (6) ratio. The styrylpyridinium unit is nearly planar, with a dihedral angle between the pyridinium and benzene rings of 4.27 (8)°. In the crystal, the anion ring is almost perpendicular to the aromatic rings of the cation; the sulfonate-substituted benzene ring forms dihedral angles of 89.60 (8) and 89.37 (8)°, respectively, with the pyridinium and benzene rings of the cation. In the crystal, the three components are linked into a three-dimensional network by O—H⋯O and C—H⋯O hydrogen bonds. π–π inter­actions with centroid–centroid distances of 3.6999 (9) and 3.7106 (9) Å are also present.
doi:10.1107/S1600536812035258
PMCID: PMC3435741  PMID: 22969612

Results 1-25 (629296)