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 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 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 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 3-(4-Chlorophenyl)-5-[4-(methylsulfanyl)phenyl]-1H-pyrazole

IUCrData ◽  
2016 ◽  
Vol 1 (4) ◽  
Author(s):  
Ganesan Suresh ◽  
Sarangapani Muniraj
Keyword(s):  
Hydrogen Bonds ◽  
Benzene Ring ◽  
Title Compound ◽  
Three Dimensional ◽  
Pyrazole Ring ◽  
Dihedral Angles ◽  
Stacking Interactions ◽  
Compound C ◽  
Π Stacking ◽  
Dimensional Network

In the title compound, C16H13ClN2S, the pyrazole ring is almost planar with an r.m.s. deviation of 0.0457 Å which forms dihedral angles of 2.875 (4) and 84.83 (7)° with the chloro-substituted benzene ring and the methylsulfanyl-substituted ring, respectively. In the crystal, N—H...N and C—H...Cl hydrogen bonds contribute to the formation of a three-dimensional network. In addition, several offset π–π stacking interactions are also present.

scholarly journals catena-Poly[[aquabis(4-formylbenzoato-κ2O1,O1′)cadmium]-μ-pyrazine-κ2N:N′]

2014 ◽  
Vol 70 (2) ◽  
pp. m37-m38 ◽  
Author(s):  
Fatih Çelik ◽  
Nefise Dilek ◽  
Nagihan Çaylak Delibaş ◽  
Hacali Necefoğlu ◽  
Tuncer Hökelek
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Benzene Ring ◽  
Three Dimensional ◽  
Dihedral Angles ◽  
Carboxylate Group ◽  
Bidentate Ligands ◽  
Dimensional Network ◽  
Polymeric Chains ◽  
Benzene Rings

The polymeric title compound, [Cd(C8H5O3)2(C4H4N2)(H2O)]n, contains two 4-formylbenzoate (FB) anions, one pyrazine molecule and one coordinating water molecule; the FB anions act as bidentate ligands. The O atom, the aldehyde H atom and the benzene ring of one of the FB anions are disordered over two positions. The O atoms were freely refined [refined occupancy ratio 0.79 (2):0.21 (2)], while the aldehyde H atoms and the benzene ring atoms were refined with fixed occupancy ratios of 0.8:0.2 and 0.5:0.5, respectively. In the ordered FB anion, the carboxylate group is twisted away from the attached benzene ring (A) by 22.7 (8)°. In the disordered FB anion, the corresponding angles are 15.6 (10) and 11.4 (11)° for ringsBandB′, respectively. Benzene ringsAandBare oriented at a dihedral angle of 24.2 (7),AandB′ at 43.0 (8)°. The pyrazine ring makes dihedral angles of 67.5 (4), 89.6 (7) and 86.2 (7)°, respectively, with benzene ringsA,BandB′. The pyrazine ligands bridge the CdIIcations, forming polymeric chains running along theb-axis direction. In the crystal, O—Hwater... Ocarboxylatehydrogen bonds link adjacent chains into layers parallel to thebcplane. These layers are linkedviaC—Hpyrazine... Oformylhydrogen bonds, forming a three-dimensional network. π–π interactions [centroid–centroid distances = 3.870 (11)–3.951 (5) Å] further stabilize the crystal structure. There is also a weak C—H...π interaction present.

scholarly journals Crystal structure of oryzalin

2015 ◽  
Vol 71 (6) ◽  
pp. o429-o429 ◽  
Author(s):  
Gihaeng Kang ◽  
Jineun Kim ◽  
Youngeun Jeon ◽  
Tae Ho Kim
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Benzene Ring ◽  
Title Compound ◽  
Three Dimensional ◽  
Dihedral Angles ◽  
Ring Plane ◽  
Compound C ◽  
Dimensional Network ◽  
The Mean

The title compound, C12H18N4O6S (systematic name: 4-dipropylamino-3,5-dinitrobenzenesulfonamide), is a sulfonamide with herbicidal properties marketed as oryzalin. The dihedral angles between the benzene ring and the mean planes of the nitro groups are 26.15 (11) and 54.80 (9)°. The propyl arms of the dipropylamino substituent lie on opposite sides of this ring plane. In the crystal, N—H...O and C—H...O hydrogen bonds generate a three-dimensional network.

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 Crystal structure of 1-methyl-2-[(E)-2-(4-methylphenyl)ethenyl]-4-nitro-1H-imidazole

2014 ◽  
Vol 70 (9) ◽  
pp. o962-o963 ◽  
Author(s):  
Hayette Alliouche ◽  
Abdelmalek Bouraiou ◽  
Sofiane Bouacida ◽  
Hocine Merazig ◽  
Ali Belfaitah
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Three Dimensional ◽  
Stacking Interaction ◽  
Π Stacking ◽  
Dimensional Network ◽  
Centroid Distance ◽  
Π Stacking Interaction ◽  
Title Molecule

In the title molecule, C13H13N3O2, the planes of the benzene and imidazole rings form a dihedral angle of 7.72 (5)°. In the crystal, molecules are linked by weak C—H...N and C—H...O hydrogen bonds, forming layers parallel to (100). A weak C—H...π interaction connects these layers into a three-dimensional network. A π–π stacking interaction, with a centroid–centroid distance of 3.5373 (9) Å, is also observed.

scholarly journals Crystal structure of (2E)-1-(4-hydroxy-3-methoxyphenyl)-3-(4-hydroxyphenyl)prop-2-en-1-one

2014 ◽  
Vol 70 (11) ◽  
pp. o1158-o1159 ◽  
Author(s):  
S. Sathya ◽  
D. Reuben Jonathan ◽  
K. Prathebha ◽  
J. Jovita ◽  
G. Usha
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Benzene Ring ◽  
Dihedral Angle ◽  
Torsion Angle ◽  
Methoxy Group ◽  
Three Dimensional ◽  
Dimensional Network ◽  
Two Component ◽  
Benzene Rings

In the title moleclue, C16H14O4, the dihedral angle between the benzene rings is 16.1 (3)°. The methoxy group is essentially coplanar with the benzene ring to which it is attached, with a C—O—C...;C torsion angle of 5.5 (9)°. In the crystal, molecules are linked by O—H...O and bifurcated O—H...(O,O) hydrogen bonds, forming a three-dimensional network. The structure was refined as a two-component inversion twin.

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.

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