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 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 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 Bis(2-amino-6-methylpyridinium) 3-nitrobenzene-1,2-dicarboxylate

IUCrData ◽  
2016 ◽  
Vol 1 (8) ◽  
Author(s):  
P. Sivakumar ◽  
S. Sudhahar ◽  
S. Israel ◽  
G. Chakkaravarthi
Keyword(s):  
Hydrogen Bonds ◽  
Three Dimensional ◽  
Two Dimensional ◽  
Π Interactions ◽  
Dimensional Network ◽  
Centroid Distance ◽  
Anions And Cations ◽  
Molecular Salt

In the title molecular salt, 2C6H9N2+·C8H3NO62−, the cations are protonated at their pyridine N atoms. The cations and anion are linked by N—H...O and C—H...O hydrogen bonds and a π–π interaction [centroid-to-centroid distance = 3.7299 (13) Å]. In the crystal, N—H...O hydrogen bonds link the anions and cations into an infinite two-dimensional network parallel to (10-1). N—H...O hydrogen bonds generateR12(4),R21(6),R24(18) andR22(11) ring motifs. The structure also features weak C—H...O and C—H...π interactions, which lead to the formation of 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 Diaquabis(4-formylbenzoato-κO1)bis(nicotinamide-κN1)zinc

2012 ◽  
Vol 68 (8) ◽  
pp. m1127-m1128 ◽  
Author(s):  
Mustafa Sertçelik ◽  
Nagihan Çaylak Delibaş ◽  
Hacali Necefoğlu ◽  
Tuncer Hökelek
Keyword(s):  
Benzene Ring ◽  
Dihedral Angle ◽  
Three Dimensional ◽  
Water Molecules ◽  
Carboxylate Group ◽  
Dimensional Network ◽  
Centroid Distance ◽  
Square Planar ◽  
Distorted Octahedral ◽  
Benzene Rings

In the title complex, [Zn(C8H5O3)2(C6H6N2O)2(H2O)2], the ZnIIcation is located on an inversion center and is coordinated by two 4-formylbenzoate (FB) anions, two nicotinamide (NA) ligands and two water molecules. The four O atoms in the equatorial plane around the ZnIIcation form a slightly distorted square-planar arrangement, while the slightly distorted octahedral coordination is completed by the two N atoms of the NA ligands in the axial positions. The dihedral angle between the carboxylate group and the adjacent benzene ring is 24.13 (8)°, while the pyridine ring and the benzene ring are oriented at a dihedral angle of 88.52 (4)°. The coordinating water molecule links with the carboxylate groupviaan O—H...O hydrogen bond. In the crystal, N—H...O and O—H...O hydrogen bonds, and a weak C—H...π interaction link the molecules into a two-dimensional network parallel to (010). These networks are linkedviaC—H...O and π–π interactions between inversion-related benzene rings [centroid–centroid distance = 3.8483 (7) Å], forming a three-dimensional supramolecular structure.

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 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.

A two-dimensional network containing an –Mn—O—C—O—Mn– chain: poly[diaqua[1,2-bis(pyridin-4-yl)ethylene][μ3-3-carboxy-5-(carboxylatomethoxy)benzoato]manganese(II)]

2013 ◽  
Vol 69 (11) ◽  
pp. 1311-1313
Author(s):  
Yong-Qian Lei ◽  
Guan-Hua Wang
Keyword(s):  
Hydrogen Bonds ◽  
Benzene Ring ◽  
Title Compound ◽  
Supramolecular Structure ◽  
Three Dimensional ◽  
Isophthalic Acid ◽  
Water Molecules ◽  
Carboxylate Group ◽  
Two Dimensional ◽  
Dimensional Network

In the title compound, [Mn(C10H6O7)(C12H10N2)(H2O)2]nor [Mn(HOABDC)(bpe)(H2O)2]n[H3OABDC is 5-(carboxymethoxy)isophthalic acid and bpe is 1,2-bis(pyridin-4-yl)ethylene], each MnIIcation is at the centre of a distorted octahedron formed by three carboxylate O atoms from three different HOABDC2−ligands, one pyridyl N atom from the terminal bpe ligand and two water molecules. The flexible oxyacetate group bound to a methylene C atom of the HOABDC2−ligand links the MnIIcentres into –Mn—O—C—O—Mn– chains, and the carboxylate group bound directly to the benzene ring extends the chains into two-dimensional layers which lie parallel to the (010) plane and present herringbone patterns. Intermolecular O—H...N and C—H...O hydrogen bonds connect the layers into a three-dimensional supramolecular structure.

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.

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