Pyridine-3-carboxamidinium chloride.
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ABSTRACT:
SUBMITTER: Liu F
PROVIDER: S-EPMC3099956 | biostudies-literature |
REPOSITORIES: biostudies-literature
Similar Datasets
Project description:In the title salt, C(6)H(8)N(3) (+)·Cl(-), each pyridine-carbox-imid-amidate cation is linked to two symmetry-related cations through N-H?N hydrogen bonds, and to two chloride ions by N-H?Cl hydrogen bonds. The N-H?N hydrogen bonds involve the pyridine N atom and one NH(2) group. In the crystal, N-H?N and N-H?Cl hydrogen bonds extend the structure into two-dimensional layers. Weak C-H?Cl inter-actions further connect these layers into a three-dimensional network.
| S-EPMC2970348 | biostudies-literature
Project description:The title compound, C(6)H(8)N(3) (+)·Cl(-)·H(2)O, crystallizes with three formula units in the asymmetric unit. The cations are non-planar with the -C(NH(2))(2) groups twisted out of the ring planes. Each pyridine carboximidamidate cation is linked to another cation through N-H?N hydrogen bonds, to chloride ions by N-H?Cl hydrogen bonds, and to water mol-ecules by N-H?O hydrogen bonds. Water mol-ecules and chloride ions are also linked together via O-H?Cl hydrogen bonds. In the crystal, all these inter-molecular inter-actions result in a three-dimensional network.
| S-EPMC3011583 | biostudies-literature
Project description:In the title salt, [ZnCl(C(6)H(7)N(3))(2)]Cl·2H(2)O, the pyridine-2-carboximidamide ligands chelate to the Zn(II) atom, which is also coordinated by a Cl atom. The Zn(II) atom shows a trigonal-bipyramidal coordination, with the pyridyl N atoms occupying the axial positions. The cation, anion and water mol-ecules are linked by N-H?Cl, N-H?O, O-H?Cl and O-H?O hydrogen bonds into a three-dimensional structure.
| S-EPMC3011688 | biostudies-literature
Project description:In the mol-ecular structure of the title compound, [CuCl(C(6)H(5)NO)(4)]Cl, the Cu(II) atom is coordinated by four N atoms of four pyridine-4-carboxaldehyde ligands and one chloride anion in a slightly distorted square-pyramidal coordination geometry. There is also a non-coordinating Cl(-) anion in the crystal structure. The Cu(II) atom and both Cl atoms are situated on fourfold rotation axes. A weak C-H⋯Cl inter-action is also present.
| S-EPMC2970991 | biostudies-literature
Project description:Pure transition-metal compounds seldom produce luminescence because of electron correlation and spin-spin coupling. The Pb-free perovskite materials, C10H12N2MnCl4 and C5H6NMnCl3·H2O, were obtained by using pyridine-implanted manganese chloride lattices. The single-crystal X-ray diffraction indicates their different crystal structures. In C10H12N2MnCl4, MnCl4 cocoordinated with two pyridine molecules forms a lattice composed of independent mononuclear structures with paramagnetic behavior, which shows a clear emission band at 518 nm from the lowest d-d transition of a single Mn(II) ion in the octahedral crystal field. In C5H6NMnCl5·H2O crystal, MnCl5·(H2O) x octahedron-cocoordinated with less pyridine molecules than 2 lead to formation arris-share linear chains of Mn-ion octahedra, which give emission band at 620 nm due to the ferromagnetic Mn pair, and ferromagnetism. Pyridine incorporations in the transition-metal halide lattice provide a new channel to modulate the electron correlation and obtain materials with both luminescence and ferromagnetic properties.
| S-EPMC6648605 | biostudies-literature
Project description:Quaternary ammonium compounds (QACs) are a group of compounds of great economic significance. They are widely used as emulsifiers, detergents, solubilizers and corrosion inhibitors in household and industrial products. Due to their excellent antimicrobial activity QACs have also gained a special meaning as antimicrobials in hospitals, agriculture and the food industry. The main representatives of the microbiocidal QACs are the benzalkonium chlorides (BACs), which exhibit biocidal activity against most bacteria, fungi, algae and some viruses. However, the misuses of QACs, mainly at sublethal concentrations, can lead to an increasing resistance of microorganisms. One of the ways to avoid this serious problem is the introduction and use of new biocides with modified structures instead of the biocides applied so far. Therefore new BAC analogues P13-P18 with pyridine rings were synthesized. The new compounds were characterized by NMR, FT-IR and ESI-MS methods. PM3 semiempirical calculations of molecular structures and the heats of formation of compounds P13-P18 were also performed. Critical micellization concentrations (CMCs) were determined to characterize the aggregation behavior of the new BAC analogues. The antimicrobial properties of novel QACs were examined by determining their minimal inhibitory concentration (MIC) values against the fungi Aspergillus niger, Candida albicans, Penicillium chrysogenum and bacteria Staphylococcus aureus, Bacillus subtilis, Escherichia coli and Pseudomonas aeruginosa. The MIC values of N,N-dimethyl-N-(4-methylpyridyl)-N-alkylammonium chlorides for fungi range from 0.1 to 12 mM and for bacteria, they range from 0.02 to 6 mM.
| S-EPMC6155866 | biostudies-literature
Project description:Three manganese(II) N-oxide complexes have been synthesized from the reaction of manganese(II) chloride with either pyridine N-oxide (PNO), 2-methyl-pyridine N-oxide (2MePNO) or 3-methyl-pyridine N-oxide (3MePNO). The compounds were synthesized from methano-lic solutions of MnCl2·4H2O and the respective N-oxide, and subsequently characterized structurally by single-crystal X-ray diffraction. The compounds are catena-poly[[aqua-chlorido-manganese(II)]-di-?-chlorido-[aqua-chlorido-manganese(II)]-bis-(?-pyridine N-oxide)], [MnCl2(C5H5NO)(H2O)] n or [MnCl2(PNO)(H2O)] n (I), catena-poly[[aqua-chlorido-man-gan-ese(II)]-di-?-chlorido-[aqua-chlorido-manganese(II)]-bis-(?-2-methyl-pyridine N-oxide)], [MnCl2(C6H7NO)(H2O)] n or [MnCl2(2MePNO)(H2O)] n (II), and bis-(?-3-methyl-pyridine N-oxide)bis-[di-aqua-dichlorido-manganese(II)], [Mn2Cl4(C6H7NO)2(H2O)4] or [MnCl2(3MePNO)(H2O)2]2 (III). The MnII atoms are found in pseudo-octa-hedral environments for each of the three complexes. Compound I forms a coordination polymer with alternating pairs of bridging N-oxide and chloride ligands. The coordination environment is defined by two PNO bridging O atoms, two chloride bridging atoms, a terminal chloride, and a terminal water. Compound II also forms a coordination polymer with a similar metal cation; however, the coordination polymer is bridged between MnII atoms by both a single chloride and 2MePNO. The distorted octahedrally coordinated metal cation is defined by two bridging 2MePNO trans to each other, two chlorides, also trans to one another in the equatorial (polymeric) plane, and a terminal chloride and terminal water. Finally, complex III forms a dimer with two bridging 3MePNOs, two terminal chlorides and two terminal waters forming the six-coordinate metal environment. All three compounds exhibit hydrogen bonding between the coordinating water(s) and terminal chlorides.
| S-EPMC5730290 | biostudies-literature
Project description:The title compound, [RuCl(C10H14)(C11H10N4)]Cl is an Ru(II) complex in which an η (6) -p-cymene ligand, two N atoms of 3-amino-2-(phenyl-azo)pyridine and one Cl ion form a piano-stool coordination environment around the metal ion. In the crystal structure, N-H⋯Cl hydrogen bonds play an important role in the formation of the supramolecular zigzag chain along the a-axis direction. Disorder is observed for the isopropyl group with site-occupancy factors refined to 0.78 (5) and 0.22 (5).
| S-EPMC4647410 | biostudies-literature
Project description:The asymmetric unit of the title compound, [Pd(C(6)H(5)N(2)O)(C(6)H(6)N(2)O)]Cl, contains one half of a cationic Pd(II) complex and a Cl(-) anion, with a crystallographic mirror plane parallel to the ac plane passing through the Pd and Cl atoms. In the complex, the Pd(II) ion is four-coordinated in a distorted square-planar environment by four N atoms derived from the two chelating ligands. The hy-droxy H atom lies on the mirror plane and so is equidistant from the O atoms. This indicates that the negative charge is delocalized over the two O atoms. The complex mol-ecules are stacked in columns along the c axis and are connected by C-H?O hydrogen bonds, forming a three-dimensional network. The structure reported herein represents a new monoclinic polymorph of the previously reported monoclinic (C2/c) form [Torabi et al. (2007 ?). Z. Kristallogr. New Cryst. Struct. 222, 197-198].
| S-EPMC3274904 | biostudies-other
Project description:The cations in the title salts, [Si(OPO)3]Cl·2CDCl3, (I), [Si(OPO)3]Cl·xCH3CN, (II), and fac-[Si(OPTO)3]Cl·2CDCl3, (III) (OPO = 1-oxo-2-pyridin-one, C5H4NO2, and OPTO = 1-oxo-2-pyridine-thione, C5H4NOS), have distorted octa-hedral coordination spheres. The first two structures contain the same cation and anion, but different solvents of crystallization led to different solvates and packing arrangements. In structures (I) and (III), the silicon complex cations and chloride anions are well separated, while in (II), there are two C-H?Cl distances that fall just within the sum of the van der Waals radii of the C and Cl atoms. The pyridine portions of the OPO ligands in (I) and (II) are modeled as disordered with the planar flips of themselves [(I): 0.574?(15):0.426?(15), 0.696?(15):0.304?(15), and 0.621?(15):0.379?(15); (II): 0.555?(13):0.445?(13), 0.604?(14):0.396?(14) and 0.611?(13):0.389?(13)], demonstrating that both fac and mer isomers are co-crystallized. In (II), highly disordered solvent, located in two independent channels along [100], was unable to be modeled. Reflection contributions from this solvent were fixed and added to the calculated structure factors using the SQUEEZE [Spek (2015 ?). Acta Cryst. C71, 9-18] function of program PLATON, which determined there to be 54 electrons in 225?Å(3) accounted for per unit cell (25 electrons in 109?Å(3) in one channel, and 29 electrons in 115?Å(3) in the other). In (I) and (II), all species lie on general positions. In (III), all species are located along crystallographic threefold axes.
| S-EPMC4719831 | biostudies-other