scholarly journals Crystal structure of 3-amino-1-propylpyridinium bromide

2014 ◽  
Vol 70 (12) ◽  
pp. 580-583 ◽  
Author(s):  
P. Venkatesan ◽  
V. Rajakannan ◽  
S. Thamotharan
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Pyridine Ring ◽  
Asymmetric Unit ◽  
Pyridinium Ring ◽  
The Mean ◽  
Anions And Cations ◽  
Molecular Salt

The title molecular salt, C8H13N2+·Br−, crystallizes with two independent 3-aminopyridinium cations and two bromide anions in the asymmetric unit (Z′ = 2). In the pyridine ring, the N atom is alkylated by a propyl group. The dihedral angle between the mean planes of the pyridinium ring and the propyl group is 84.84 (2)° in cationA, whereas the corresponding angle is 89.23 (2)° in cationB. In the crystal, the anions and cations are linkedviaN—H...Br and C—H...Br hydrogen bonds, forming chains propagating along [100].

scholarly journals Crystal structure of creatininium 5-(2,4-dinitrophenyl)-1,3-dimethylbarbiturate monohydrate: a potential anticonvulsant agent

2016 ◽  
Vol 72 (5) ◽  
pp. 620-623
Author(s):  
Ponnusamy Poornima Devi ◽  
Doraisamyraja Kalaivani
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Water Molecule ◽  
Three Dimensional ◽  
Pyrimidine Ring ◽  
Membered Ring ◽  
Anticonvulsant Agent ◽  
The Mean ◽  
Anions And Cations ◽  
Molecular Salt

In the anion of the title hydrated molecular salt, C4H8N3O+·C12H9N4O7−·H2O [systematic name: 2-amino-1-methyl-4-oxo-4,5-dihydro-1H-imidazol-3-ium 5-(2,4-dinitrophenyl)-1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-olate monohydrate], the 2,4-dinitrophenyl ring is inclined to the mean plane of the pyrimidine ring [r.m.s. deviation = 0.37 Å] by 43.24 (8)°. The five-membered ring of the creatininium cation (2-amino-1-methyl-4-oxo-4,5-dihydro-1H-imidazol-3-ium) is essentially planar with an r.m.s. deviation of 0.015 Å. In the crystal, the anions and cations are linkedviaN—H...O hydrogen bonds, forming sheets parallel to theabplane. The sheets are linkedviaO—H...O hydrogen bonds involving the water molecule, forming a three-dimensional framework. Within the framework, there are C—H...O hydrogen bonds present. The title molecular salt displays anticonvulsant and hypnotic activities.

scholarly journals Crystal structure of trimethylammonium 5-(2,4-dinitrophenyl)-1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-olate

2014 ◽  
Vol 70 (10) ◽  
pp. o1102-o1103 ◽  
Author(s):  
Sridevi Gunaseelan ◽  
Kalaivani Doraisamyraja
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Benzene Ring ◽  
Dihedral Angle ◽  
Maximum Deviation ◽  
Asymmetric Unit ◽  
Molecular Salt

The asymmetric unit of the title molecular salt, C3H10N+·C12H9N4O7−[alternative name: trimethylammonium 5-(2,4-dinitrophenyl)-1,3-dimethyl barbiturate], contains one anion and two half-occupancy cations. The cations are disordered about inversion centres. The tetrahydropyrimidine ring is essentially planar [maximum deviation = 0.007 (2) Å] and forms a dihedral angle of 41.12 (6)° with the plane of the benzene ring. In the crystal, N—H...O hydrogen bonds link the cations to the anions.

scholarly journals Crystal structure of 2-phenylethanaminium 3-carboxyprop-2-enoate

2015 ◽  
Vol 71 (9) ◽  
pp. o641-o642
Author(s):  
N. Swarna Sowmya ◽  
S. Sampathkrishnan ◽  
R. Akilan ◽  
G. Chakkaravarthi ◽  
R. Mohan Kumar
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Side Chains ◽  
Asymmetric Unit ◽  
Torsion Angles ◽  
Anions And Cations ◽  
Molecular Salt

The title molecular salt, C8H12N+·C4H3O4−, crystallized with two independent cations and anions in the asymmetric unit. The ethanaminium side chains of the cations exhibitanticonformations [C—C—C—N torsion angles = 176.5 (3) and −179.4 (3)°]. In the crystal, N—H...O and C—H...O hydrogen bonds connect adjacent anions and cations, and , O—H...O hydrogen bonds connect adjacent anions, generating sheets parallel to (001).

scholarly journals Crystal structure of 2-amino-5-nitropyridinium sulfamate

2015 ◽  
Vol 71 (2) ◽  
pp. 231-233 ◽  
Author(s):  
M. Ambrose Rajkumar ◽  
M. NizamMohideen ◽  
S. Stanly John Xavier ◽  
S. Anbarasu ◽  
Dr. Prem Anand Devarajan
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Pyridine Ring ◽  
Ion Pairs ◽  
Three Dimensional ◽  
Sulfamic Acid ◽  
Dimensional Structure ◽  
Pyridinium Ring ◽  
Molecular Salt ◽  
Ring Motif

The title molecular salt, C5H6N3O2+·H2NO3S−, was obtained from the reaction of sulfamic acid with 2-amino-5-nitropyridine. A proton transfer from sulfamic acid to the pyridine N atom occurred, resulting in the formation of a salt. As expected, this protonation leads to the widening of the C—N—C angle of the pyridine ring, to 122.9 (3)°, with the pyridinium ring being essentially planar (r.m.s. deviation = 0.025 Å). In the crystal, the ion pairs are joined by three N—H...O and one N—H...N hydrogen bonds in which the pyridinium N atom and the amino N atom act as donors, and are hydrogen bonded to the carboxylate O atoms and the N atom of the sulfamate anion, thus generating anR33(22) ring motif. These motifs are linked by further N—H...O hydrogen bonds enclosingR33(8) loops, forming sheets parallel to (100). The sheets are linkedviaweak C—H...O hydrogen bonds, forming a three-dimensional structure. The O atoms of the nitro group are disordered over two sets of sites with a refined occupancy ratio of 0.737 (19):0.263 (19).

2-[2-(Pyrrolidin-2-yl)propan-2-yl]-1H-pyrrole and its amide derivative 1-{2-[2-(1H-pyrrol-2-yl)propan-2-yl]pyrrolidin-1-yl}ethanone

2012 ◽  
Vol 68 (3) ◽  
pp. o119-o122 ◽  
Author(s):  
Guillaume Journot ◽  
Reinhard Neier ◽  
Helen Stoeckli-Evans
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Asymmetric Unit ◽  
Amide Derivative ◽  
The Mean ◽  
Graph Set ◽  
Independent Molecules ◽  
The Individual ◽  
Compound Ii

In the title compounds, C11H18N2, (II), and C13H20N2O, (III), the pyrrolidine rings have twist conformations. Compound (II) crystallizes with two independent molecules (AandB) in the asymmetric unit. The mean planes of the pyrrole and pyrrolidine rings are inclined to one another by 89.99 (11) and 89.35 (10)° in moleculesAandB, respectively. In (III), the amide derivative of (II), the same dihedral angle is much smaller, at only 13.42 (10)°. In the crystal structure of (II), the individual molecules are linkedviaN—H...N hydrogen bonds to form inversion dimers, each with anR22(12) graph-set motif. In the crystal structure of (III), the molecules are linkedviaN—H...O hydrogen bonds to form inversion dimers with anR22(16) graph-set motif.

scholarly journals Crystal structure of 9-butyl-6-[2-(pyridin-4-yl)ethenyl]carbazol-3-amine

2015 ◽  
Vol 71 (5) ◽  
pp. o345-o346
Author(s):  
Ping Zhang ◽  
Xiang-Yang Bai ◽  
Ting Zhang
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Torsion Angle ◽  
Title Compound ◽  
Pyridine Ring ◽  
Ring System ◽  
Side Chain ◽  
Asymmetric Unit ◽  
Compound C

The asymmetric unit of the title compound, C23H23N3, consists of two molecules,AandB, with different conformations. In moleculeA, the dihedral angle between the carbazole ring system (r.m.s. deviation = 0.028 Å) and the pyridine ring is 20.28 (9)° and the N—C—C—C torsion angle of the butyl side chain is −63.4 (3)°. The equivalent data for moleculeBare 0.065 Å, 48.28 (11)° and 61.0 (3)°, respectively. In the crystal, the components are connected by weak N—H...N hydrogen bonds, generating [030]C(14) chains of alternatingAandBmolecules.

scholarly journals Bis[4-(5-anilino-1,3,4-thiadiazol-2-yl)pyridinium] sulfate

IUCrData ◽  
2016 ◽  
Vol 1 (3) ◽  
Author(s):  
Akhilesh Bharti ◽  
Paras Nath ◽  
Pooja Bharati ◽  
Sushil K. Gupta ◽  
Manoj K. Bharty
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Phenyl Ring ◽  
Asymmetric Unit ◽  
Sulfate Anion ◽  
Π Interactions ◽  
Pyridinium Ring ◽  
Pyridinium Cations

The asymmetric unit of the title salt, 2C13H11N4S+·SO4−, comprises two 4-(5-anilino-1,3,4-thiadiazol-2-yl)pyridinium cations and one sulfate anion. In one cation, the phenyl ring is inclined to the pyridinium ring at a dihedral angle of 34.82 (6)°, while in other cation the rings are almost coplanar with a corresponding dihedral angle 5.33 (10)°. Strong N—H...O hydrogen bonds link the cations to the sulfate anion in the asymmetric unit. Additional N—H...O, C—H...N, C—H...O and C—H...S hydrogen bonds further stabilize the crystal structure. Weak C—H...π and π–π interactions are also observed in the crystal structure.

scholarly journals 2-Amino-4-methylpyridinium 4-hydroxybenzoate

IUCrData ◽  
2016 ◽  
Vol 1 (9) ◽  
Author(s):  
P. Sivakumar ◽  
S. Sudhahar ◽  
S. Israel ◽  
G. Chakkaravarthi
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Benzene Ring ◽  
Pyridine Ring ◽  
Three Dimensional ◽  
Dimensional Network ◽  
Anions And Cations ◽  
Molecular Salt ◽  
Ring Motif

In the title molecular salt, C6H9N2+·C7H5O3−, the cation is protonated at the pyridine N atom and the anion is deprotonated. The pyridine ring is inclined at an angle of 24.96 (11)° to the benzene ring. In the crystal, adjacent anions and cations are linked by a pair of N—H...O hydrogen bonds, generating anR22(8) ring motif; these motifs are further connected by another N—H...O and O—H...O hydrogen bonds into a three-dimensional network. The crystal structure also features weak C—H...O interactions.

scholarly journals Crystal structure of bis(2-{1-[(E)-(4-fluorobenzyl)imino]ethyl}phenolato-κ2N,O)palladium(II)

2015 ◽  
Vol 71 (4) ◽  
pp. 350-353
Author(s):  
Amalina Mohd Tajuddin ◽  
Hadariah Bahron ◽  
Hamizah Mohd Zaki ◽  
Karimah Kassim ◽  
Suchada Chantrapromma
Keyword(s):  
Crystal Structure ◽  
Schiff Base ◽  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Complex ◽  
Asymmetric Unit ◽  
Schiff Base Ligands ◽  
Bond Lengths ◽  
Square Planar ◽  
Coordination Plane

The asymmetric unit of the title complex, [Pd(C15H13FNO)2], contains one half of the molecule with the PdIIcation lying on an inversion centre and is coordinated by the bidentate Schiff base anion. The geometry around the cationic PdIIcentre is distorted square planar, chelated by the imine N- and phenolate O-donor atoms of the two Schiff base ligands. The N- and O-donor atoms of the two ligands are mutuallytrans, with Pd—N and Pd—O bond lengths of 2.028 (2) and 1.9770 (18) Å, respectively. The fluorophenyl ring is tilted away from the coordination plane and makes a dihedral angle of 66.2 (2)° with the phenolate ring. In the crystal, molecules are linked into chains along the [101] direction by weak C—H...O hydrogen bonds. Weak π–π interactions with centroid–centroid distances of 4.079 (2) Å stack the molecules alongc.

scholarly journals Dibromido(N-phenylbenzamidine-κN′)tin(II)

IUCrData ◽  
2017 ◽  
Vol 2 (2) ◽  
Author(s):  
Xiuming Ma
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Asymmetric Unit ◽  
Phenyl Rings ◽  
The Mean

The asymmetric unit of the title compound, [SnBr2(C13H12N2)], contains an amidine ligand and tin(II) bromide moiety. In the amidine ligand, the phenyl rings present a head-to-tail configuration mode. The tin atom is coordinated by the terminal N atom of the amidine ligand, and the two Br atoms extend to both sides of the Sn atom in a V-shape. The phenyl rings are twisted from the mean N/C/N plane by 26.14 (18) and 79.50 (8)°. The crystal structure features N—H...Br hydrogen bonds.

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