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-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 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 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 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 Crystal structure of 4-(dimethylamino)pyridinium 4-aminobenzoate dihydrate

2015 ◽  
Vol 71 (1) ◽  
pp. o26-o27
Author(s):  
A. Thirunavukkarasu ◽  
A. Silambarasan ◽  
R. Mohan Kumar ◽  
P. R. Umarani ◽  
G. Chakkaravarthi
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Benzene Ring ◽  
Dihedral Angle ◽  
Three Dimensional ◽  
Water Molecules ◽  
Π Interactions ◽  
Dimensional Network ◽  
Molecular Salt

In the title hydrated molecular salt, C7H11N2+·C7H6NO2−·2H2O, the cation is protonated at the pyridine N atom and the dihedral angle between the benzene ring and the CO2−group in the anion is 8.5 (2)°. In the crystal, the cation forms an N—H...O hydrogen bond to the anion and the anion forms two N—H...O hydrogen bonds to adjacent water molecules. Both water molecules form two O—H...O hydrogen bonds to carboxylate O atoms. In combination, these hydrogen bonds generate a three-dimensional network and two weak C—H...π interactions are also observed.

scholarly journals 3-(Dihydroxyboryl)anilinium 6-carboxypyridine-2-carboxylate

2012 ◽  
Vol 68 (8) ◽  
pp. o2559-o2559 ◽  
Author(s):  
Chunhua Ge ◽  
Xiangdong Zhang ◽  
Rui Zhang ◽  
Chenglong Zhang
Keyword(s):  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Three Dimensional ◽  
Dihedral Angles ◽  
Dimensional Network ◽  
Molecular Salt

In the anion of the title molecular salt, C6H9BNO2+·C7H4NO4−, the dihedral angles between the –COO2−and –CO2H groups and their attached ring are 4.02 (13) and 21.41 (10)°, respectively. The B atom in the cation adopts asyn–syngeometry and the dihedral angle between the –B(OH)2group and its attached ring is 11.06 (5)°. In the crystal, O—H...O, N—H...O and N—H...N hydrogen bonds link the components into a three-dimensional network.

scholarly journals Crystal structure of 5-[(4-carboxybenzyl)oxy]isophthalic acid

2016 ◽  
Vol 72 (8) ◽  
pp. 1219-1222
Author(s):  
Md. Serajul Haque Faizi ◽  
Musheer Ahmad ◽  
Akram Ali ◽  
Vadim A. Potaskalov
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Three Dimensional ◽  
Molecular Shape ◽  
Isophthalic Acid ◽  
Compound C ◽  
Dimensional Network ◽  
Benzene Rings

The molecular shape of the title compound, C16H12O7, is bent around the central CH2—O bond. The two benzene rings are almost perpendicular to one another, making a dihedral angle of 87.78 (7)°. In the crystal, each molecule is linked to three others by three pairs of O—H...O hydrogen bonds, forming undulating sheets parallel to thebcplane and enclosingR22(8) ring motifs. The sheets are linked by C—H...O hydrogen bonds and C—H...π interactions, forming a three-dimensional network.

scholarly journals Methyl 2,4-dihydroxy-5-(4-nitrobenzamido)benzoate

2013 ◽  
Vol 69 (2) ◽  
pp. o207-o207
Author(s):  
Syeda Sohaila Naz ◽  
Nazar Ul Islam ◽  
M. Nawaz Tahir ◽  
Muhammad Raza Shah
Keyword(s):  
Hydrogen Bonds ◽  
Nitro Group ◽  
Dihedral Angle ◽  
Title Compound ◽  
Three Dimensional ◽  
Aromatic Rings ◽  
Compound C ◽  
Dimensional Network

In the title compound, C15H12N2O7, the dihedral angle between the aromatic rings is 4.58 (13)° and the nitro group is rotated from its attached ring by 18.07 (17)°. Intramolecular N—H...O and O—H...O hydrogen bonds generateS(5) andS(6) rings, respectively. In the crystal, molecules are linked by O—H...O hydrogen bonds, generating [001]C(7) chains. The chains are linked by C—H...O interactions, forming a three-dimensional network, which incorporatesR22(7) andR22(10) loops.

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