scholarly journals Benzotriazolium 4-methylbenzenesulfonate

2014 ◽  
Vol 70 (3) ◽  
pp. o350-o350 ◽  
Author(s):  
A. Thirunavukkarasu ◽  
A. Silambarasan ◽  
R. Mohan Kumar ◽  
P. R. Umarani ◽  
G. Chakkaravarthi
Keyword(s):  
Hydrogen Bonds ◽  
Three Dimensional ◽  
Dimensional Network ◽  
Molecular Salt

In the title molecular salt, C6H6N3+·C7H7O3S−, the components are linked by N—H...O hydrogen bonds into zigzag chains along [100]. These chains are further connected by weak C—H...O, C—H...π and π–π (centroid-to-centroid distances = 3.510, 3.701 and 3.754 Å) interactions into a three-dimensional network.

scholarly journals 2-Amino-4-methylpyridinium 4-methoxybenzoate dihydrate

IUCrData ◽  
2017 ◽  
Vol 2 (5) ◽  
Author(s):  
P. Sivakumar ◽  
G. Ezhamani ◽  
S. Israel ◽  
G. Chakkaravarthi
Keyword(s):  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Ion Pairs ◽  
Three Dimensional ◽  
Water Molecules ◽  
Π Stacking ◽  
Dimensional Network ◽  
Centroid Distance ◽  
Molecular Salt

In the title hydrated molecular salt, C6H9N2+·C8H7O3−·2H2O, the cation is protonated at the pyridine N atom. The cation and anion are linked by a pair of N—H...O hydrogen bonds, which generates anR22(8) loop, and the dihedral angle between their ring planes is 16.07 (14)°. The ion pairs are linked by O—H...O hydrogen bonds involving the water molecules, generating a three-dimensional network. Weak C—H...O and aromatic π–π stacking [centroid-to-centroid distance = 3.5874 (17) Å] interactions are also observed.

scholarly journals Crystal structure of quinolinium 2-carboxy-6-nitrobenzoate monohydrate

2015 ◽  
Vol 71 (5) ◽  
pp. o270-o271 ◽  
Author(s):  
J. Mohana ◽  
M. Divya Bharathi ◽  
G. Ahila ◽  
G. Chakkaravarthi ◽  
G. Anbalagan
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Benzene Ring ◽  
Dihedral Angle ◽  
Carboxy Group ◽  
Three Dimensional ◽  
Dihedral Angles ◽  
Π Stacking ◽  
Dimensional Network ◽  
Molecular Salt

In the anion of the title hydrated molecular salt, C9H8N+·C8H4NO6−·H2O, the protonated carboxyl and nitro groups makes dihedral angles of 27.56 (5) and 6.86 (8)°, respectively, with the attached benzene ring, whereas the deprotonated carboxy group is almost orthogonal to it with a dihedral angle of 80.21 (1)°. In the crystal, the components are linked by O—H...O and N—H...O hydrogen bonds, generating [001] chains. The packing is consolidated by weak C—H...N and C—H...O interactions as well as aromatic π–π stacking [centroid-to-centroid distances: 3.7023 (8) & 3.6590 (9)Å] interactions, resulting in a three-dimensional network.

scholarly journals Pyrimethaminium 2-{[4-(trifluoromethyl)phenyl]sulfanyl}benzoate dimethyl sulfoxide monosolvate

2014 ◽  
Vol 70 (6) ◽  
pp. o683-o684 ◽  
Author(s):  
Thammarse S. Yamuna ◽  
Manpreet Kaur ◽  
Jerry P. Jasinski ◽  
H.S. Yathirajan
Keyword(s):  
Hydrogen Bonds ◽  
Dimethyl Sulfoxide ◽  
Dihedral Angle ◽  
Solvent Molecule ◽  
Three Dimensional ◽  
Dimensional Network ◽  
Benzene Rings ◽  
Graph Set ◽  
Molecular Salt

In the cation of the title solvated molecular salt, C12H14ClN4+·C14H8F3O2S−·C2H6OS [systematic name of the cation: 2,4-diamino-5-(4-chlorophenyl)-6-ethylpyrimidin-1-ium], the dihedral angle between the planes of the pyrimidinium and 4-chlorophenyl rings is 77.2 (5)°. In the anion, the planes of the benzene rings are twisted with respect to each other by 71.5 (5)°. Disorder was modelled for the dimethyl sulfoxide solvent molecule over two set of sites in a 0.7487 (13):0.2513 (13) ratio. In the crystal, the cations are linked by inversion-generated pairs of N—H...N hydrogen bonds, with anR22(8) graph-set motif. The cation donates two N—H...O hydrogen bonds to the anion, also generating anR22(8) loop. These interactions, along with cation–solvent N—H...O hydrogen bonds, and cation–anion C—H...F, solvent–anion C—H...O and C—H...F interactions, result in a three-dimensional network.

scholarly journals 5-Carbamoyl-2-methyl-1-(2-methylbenzyl)pyridinium bromide

2012 ◽  
Vol 68 (6) ◽  
pp. o1609-o1610 ◽  
Author(s):  
Kyung Beom Kim ◽  
Seung Man Yu ◽  
Cheal Kim ◽  
Youngmee Kim
Keyword(s):  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Three Dimensional ◽  
Pyridinium Bromide ◽  
Dimensional Network ◽  
Molecular Salt

In the title molecular salt, C15H17N2O+·Br−, the benzene and pyridinium rings form a dihedral angle of 83.0 (1)°. In the crystal, N—H...Br and N—H...O hydrogen bonds link the components into chains along [010]. These chains are linked by weak C—H...O and C—H...Br hydrogen bonds, forming a three-dimensional network.

scholarly journals 2-Amino-4-methylpyridinium 4-methylbenzoate

IUCrData ◽  
2016 ◽  
Vol 1 (9) ◽  
Author(s):  
P. Sivakumar ◽  
C. Anzline ◽  
S. Israel ◽  
G. Chakkaravarthi
Keyword(s):  
Hydrogen Bonds ◽  
Benzene Ring ◽  
Dihedral Angle ◽  
Three Dimensional ◽  
Carboxylate Group ◽  
Π Stacking ◽  
Dimensional Network ◽  
Molecular Salt

In the title molecular salt, C6H9N2+·C8H7O2−, the cation is protonated at its pyridine N atom and the dihedral angle between the carboxylate group and its attached benzene ring in the anion is 8.54 (17)°. In the crystal, N—H...O hydrogen bonds link the components into [001] chains. Weak C—H...O and aromatic π–π stacking [centroid–centroid separation = 3.8503 (18) Å] link the chains into a three-dimensional network.

scholarly journals 4-Methylpyridinium 2-carboxy-6-nitrobenzoate

IUCrData ◽  
2016 ◽  
Vol 1 (11) ◽  
Author(s):  
S. Reena Devi ◽  
S. Kalaiyarasi ◽  
R. Akilan ◽  
R. Mohan Kumar ◽  
G. Chakkaravarthi
Keyword(s):  
Carboxylic Acid ◽  
Hydrogen Bonds ◽  
Nitro Group ◽  
Three Dimensional ◽  
Acid Group ◽  
Carboxylic Acid Group ◽  
Dimensional Network ◽  
Molecular Salt

In the title molecular salt, C6H8N+·C8H4NO6−, the anion is deprotonated at the carboxylic acid group adjacent to the nitro group. In the crystal, the anions are linked into an [001] chain by O—H...O hydrogen bonds. The cations are linked to these chains by N—H...O hydrogen bonds and weak C—H...O contacts, generating a three-dimensional network.

scholarly journals Crystal structure and biological evaluation of 4-methylmorpholin-4-ium 1,3-dimethyl-2,6-dioxo-5-(2,4,6-trinitrophenyl)-1,2,3,6-tetrahydropyrimidin-4-olate

2015 ◽  
Vol 71 (6) ◽  
pp. 723-725 ◽  
Author(s):  
Jeganathan Gomathi ◽  
Doraisamyraja Kalaivani
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Three Dimensional ◽  
Chair Conformation ◽  
Biological Evaluation ◽  
Membered Ring ◽  
Dimensional Network ◽  
Hypnotic Activity ◽  
Molecular Salt

The title molecular salt, C5H12NO+·C12H8N5O9−[common name: 4-methylmorpholin-4-ium 1,3-dimethyl-5-(2,4,6-trinitrophenyl)barbiturate], possesses noticeable anticonvulsant and hypnotic activity. In the anion, the 1,3-dimethylbarbituric acid ring and the symmetrically substituted trinitrophenyl ring, linkedviaa C—C bond, are not coplanar but subtend an angle of 44.88 (7)°. The six-membered ring of the 4-methylmorpholin-4-ium cation has a chair conformation. In the crystal, the cation and anion are linkedviaan N—H...O hydrogen bond. The cation–anion units are linked by a number of C—H...O hydrogen bonds, forming a three-dimensional network.

scholarly journals Crystal structure of 2-phenylethylaminium 4-nitrophenolate monohydrate

2014 ◽  
Vol 70 (12) ◽  
pp. o1280-o1280
Author(s):  
N. Swarna Sowmya ◽  
S. Sampathkrishnan ◽  
S. Sudhahar ◽  
R. Mohan Kumar ◽  
G. Chakkaravarthi
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Nitro Group ◽  
Aromatic Ring ◽  
Three Dimensional ◽  
Side Chain ◽  
Stacking Interactions ◽  
Dimensional Network ◽  
Centroid Distance ◽  
Molecular Salt

In the title hydrated molecular salt, C8H12N+·C6H4NO3−·H2O, the conformation of the side chain in the cation isanti[C—C—C—N = 179.62 (12)°] and the dihedral angle between the aromatic ring and the nitro group in the anion is 3.34 (11)°. In the crystal, the components are linked by O—H...O and N—H...O hydrogen bonds, generating (10-1) sheets, which featureR44(21) loops. The sheets interact by weak aromatic π–π stacking interactions [centroid–centroid distance = 3.896 (3) Å], forming a three-dimensional network.

scholarly journals Crystal structure of tris(piperidinium) hydrogen sulfate sulfate

2015 ◽  
Vol 71 (12) ◽  
pp. 1444-1446 ◽  
Author(s):  
Tamara J. Lukianova ◽  
Vasyl Kinzhybalo ◽  
Adam Pietraszko
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Three Dimensional ◽  
Chair Conformation ◽  
Hydrogen Sulfate ◽  
Sulfate Ion ◽  
Sulfate Anion ◽  
Dimensional Network ◽  
Molecular Salt

In the title molecular salt, 3C5H12N+·HSO4−·SO42−, each cation adopts a chair conformation. In the crystal, the hydrogen sulfate ion is connected to the sulfate ion by a strong O—H...O hydrogen bond. The packing also features a number of N—H...O hydrogen bonds, which lead to a three-dimensional network structure. The hydrogen sulfate anion accepts four hydrogen bonds from two cations, whereas the sulfate ion, as an acceptor, binds to five separate piperidinium cations, forming seven hydrogen bonds.

scholarly journals Crystal structure of 4-sulfamoylanilinium dihydrogen phosphate

2014 ◽  
Vol 70 (9) ◽  
pp. o997-o998
Author(s):  
C. Muthuselvi ◽  
N. Mala ◽  
N. Srinivasan ◽  
S. Pandiarajan ◽  
R. V. Krishnakumar
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Benzene Ring ◽  
Three Dimensional ◽  
Dihydrogen Phosphate ◽  
Oh Groups ◽  
Dimensional Network ◽  
Amine Hydrogen ◽  
Phosphate Anions ◽  
Molecular Salt

In the crystal structure of the title molecular salt, C6H9N2O2S+·H2PO4−, the sulfomylalinium cations and the dihydrogen phosphate anions form independent [100] chains through Ns—H...O (s = sulfamoyl) and O—H...O hydrogen bonds, respectively. The chains are cross-linked by Na—H...O (a = amine) hydrogen bonds, generating (010) sheets. Two C—H...O hydrogen bonds involving diametrically opposite C atoms in the benzene ring of the cation as donors form chains parallel to [202] in which P=O and P—OH groups are acceptors. Together, these interactions lead to a three-dimensional network.

Sign in / Sign up

Export Citation Format

Share Document