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 2-Methylpyridinium 2-carboxy-6-nitrobenzoate

IUCrData ◽  
2016 ◽  
Vol 1 (7) ◽  
Author(s):  
P. Sivakumar ◽  
S. Sudhahar ◽  
S. Israel ◽  
G. Chakkaravarthi
Keyword(s):  
Hydrogen Bonds ◽  
Benzene Ring ◽  
Carboxy Group ◽  
Pyridine Ring ◽  
Three Dimensional ◽  
Carboxylate Group ◽  
Dimensional Network ◽  
Centroid Distance ◽  
Anions And Cations ◽  
Molecular Salt

In the title molecular salt, C6H8N+·C8H4NO6−, the pyridine ring is protonated at the N atom and the anion is deprotonated at one of the hydroxy O atoms. The dihedral angle between the planes of the benzene and pyridine rings is 8.45 (9)°. In the anion, the deprotonated carboxylate group is twisted at an angle of 73.78 (11)° from the attached benzene ring, whereas the carboxy group is slightly oriented at an angle of 14.98 (10)°. N—H...O and O—H...O hydrogen bonds link the anions and cations into an infinite chain along thecaxis and these chains are further consolidated by C—H...O hydrogen bonds to form a three-dimensional network. The crystals structure is also influenced by weak π–π interactions [centroid–centroid distance = 3.9055 (9) Å].

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 Crystal structure and thermal behaviour of pyridinium styphnate

2015 ◽  
Vol 71 (2) ◽  
pp. 117-120 ◽  
Author(s):  
Selvarasu Muthulakshmi ◽  
Doraisamyraja Kalaivani
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Nitro Group ◽  
Benzene Ring ◽  
Three Dimensional ◽  
High Energy ◽  
High Energy Density ◽  
Dimensional Structure ◽  
Molecular Salt ◽  
Ring Motif

In the crystal structure of the title molecular salt, C5H6N+·C6H2N3O8−(systematic name: pyridinium 3-hydroxy-2,4,6-trinitrophenolate), the pyridinium cation and the 3-hydroxy-2,4,6-trinitrophenolate anion are linked through bifurcated N—H...(O,O) hydrogen bonds, forming anR12(6) ring motif. The nitro groupparawith respect to phenolate ion forms an intramolecular hydrogen bond with the adjacent phenolic –OH group, which results in anS(6) ring motif. The nitro group flanked by the phenolate ion and the phenolic –OH group deviates noticeably from the benzene ring, subtending a dihedral angle of 89.2 (4)°. The other two nitro groups deviate only slightly from the plane of the benzene ring, making dihedral angles of 2.8 (4) and 3.4 (3)°. In the crystal, the 3-hydroxy-2,4,6-trinitrophenolate anions are linked through O—H...O hydrogen bonds, forming chains along [100]. These anionic chains, to which the cations are attached, are linkedviaC—H...O hydrogen bonds, forming a three-dimensional structure. Impact friction sensitivity tests and TGA/DTA studies on the title molecular salt imply that it is an insensitive high-energy-density material.

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.

scholarly journals 2-Amino-4-methylpyridinium 2-(3-methylphenyl)acetate

IUCrData ◽  
2016 ◽  
Vol 1 (7) ◽  
Author(s):  
P. Sivakumar ◽  
S. Sudhahar ◽  
S. Israel ◽  
G. Chakkaravarthi
Keyword(s):  
Molecular Structure ◽  
Hydrogen Bonding ◽  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Three Dimensional ◽  
Dimensional Network ◽  
Anions And Cations ◽  
Molecular Salt ◽  
Ring Motif

In the title molecular salt, C6H9N2+·C9H9O2−, the cation is protonated at the pyridine N atom and the anion is deprotonated at the hydroxy O atom. The dihedral angle between the benzene and pyridine rings is 66.58 (10)°. In the molecular structure, a pair of N—H...O hydrogen bonds links the anion and cation, generating anR22(8) ring motif. These ring motifs are connected to adjacent anions and cationsviaintermolecular N—H...O hydrogen bonding, generating a bifurcatedR22(8) ring motif. C—H...O, C—H...π and π–π [centroid-to-centroid distances = 3.7053 (11) and 3.9547 (13) Å] interactions lead to the formation of a three-dimensional network.

scholarly journals Crystal structure of benzimidazolium salicylate

2015 ◽  
Vol 71 (10) ◽  
pp. o794-o795 ◽  
Author(s):  
M. Amudha ◽  
P. Praveen Kumar ◽  
G. Chakkaravarthi
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Benzene Ring ◽  
Dihedral Angle ◽  
Three Dimensional ◽  
Dimensional Structure ◽  
Π Interactions ◽  
Molecular Salt ◽  
Ring Motif

In the anion of the title molecular salt, C7H7N2+·C7H5O3−(systematic name: 1H-benzimidazol-3-ium 2-hydroxybenzoate), there is an intramolecular O—H...O hydrogen bond that generates anS(6) ring motif. The CO2group makes a dihedral angle of 5.33 (15)° with its attached ring. In the crystal, the dihedral angle between the benzimidazolium ring and the anion benzene ring is 75.88 (5)°. Two cations bridge two anionsviatwo pairs of N—H...O hydrogen bonds, enclosing anR44(16) ring motif, forming a four-membered centrosymmetric arrangement. These units are linkedviaC—H...O hydrogen bonds, forming chains propagating along theb-axis direction. The chains are linked by C—H...π and π–π interactions [inter-centroid distances = 3.4156 (7) and 3.8196 (8) Å], forming a three-dimensional structure.

scholarly journals 1H-Benzo[d]imidazol-3-ium (Z)-3-carboxyprop-2-enoate

IUCrData ◽  
2016 ◽  
Vol 1 (7) ◽  
Author(s):  
M. Amudha ◽  
B. Gunasekaran ◽  
P. Praveen Kumar ◽  
G. Chakkaravarthi
Keyword(s):  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Three Dimensional ◽  
Dimensional Network ◽  
Anions And Cations ◽  
Graph Set ◽  
Molecular Salt ◽  
Ring Motif

In the anion of the title molecular salt, C7H7N2+.C4H3O4−, an O—H...O hydrogen bond generates anS(7) graph-set motif while a pair of intermolecular N—H...O and C—H...O hydrogen bonds generate anR44(10) ring-motif. Adjacent anions and cations are further connected through N—H...O hydrogen bonds into infinite chains along [101] and these chains are linked by C—H...O hydrogen bonds, forming a three-dimensional network.

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).

scholarly journals Crystal structure of 4-amino-1-(4-methylbenzyl)pyridinium bromide

2014 ◽  
Vol 70 (12) ◽  
pp. o1293-o1294 ◽  
Author(s):  
N. Sharmila ◽  
T. V. Sundar ◽  
A. Yasodha ◽  
A. Puratchikody ◽  
B. Sridhar
Keyword(s):  
Hydrogen Bonds ◽  
Ion Pairs ◽  
Three Dimensional ◽  
Asymmetric Unit ◽  
Pyridinium Bromide ◽  
Dimensional Network ◽  
Benzene Rings ◽  
Anions And Cations ◽  
Molecular Salt ◽  
Ring Motif

The title molecular salt, C13H15N2+·Br−, crystallized with two independent ion pairs (AandB) in the asymmetric unit. In the cations, the planes of the pyridine and benzene rings are inclined to one another by 79.32 (8) and 82.30 (10)° in ion pairsAandB, respectively. In the crystal, the anions and cations are connected by N—H...Br hydrogen bonds, forming a centrosymmetric tetramer-like unit enclosing anR84(16) ring motif. These units are linkedviaC—H...Br hydrogen bonds, forming a three-dimensional network.

scholarly journals 2-Amino-4-methylpyridin-1-ium 2-(4-nitrophenyl)acetate

IUCrData ◽  
2016 ◽  
Vol 1 (9) ◽  
Author(s):  
P. Sivakumar ◽  
C. Anzline ◽  
S. Israel ◽  
G. Chakkaravarthi
Keyword(s):  
Hydrogen Bonds ◽  
Three Dimensional ◽  
Π Interactions ◽  
Dimensional Network ◽  
Anions And Cations ◽  
Molecular Salt ◽  
Ring Motif

In the title molecular salt, C6H9N2+·C8H6NO4−, the cation is protonated at its pyridine N atom. In the crystal, the anion and cation are connected by weak N—H...O hydrogen bonds, generating anR22(8) ring motif. A pair of N—H...O hydrogen bonds and a C—H...O contact generate anR23(19) ring motif. In the crystal, adjacent anions and cations are linked by N—H...O hydrogen bonds into infinite chains along [001]. The components are further linked by weak C—H...O contacts and C—H...π interactions, forming a three-dimensional network.

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