scholarly journals 2-Carboxylatopyridinium–4-nitrophenol (1/1)

2014 ◽  
Vol 70 (4) ◽  
pp. o450-o450 ◽  
Author(s):  
A. Sankar ◽  
S. Ambalatharasu ◽  
G. Peramaiyan ◽  
G. Chakkaravarthi ◽  
R. Kanagadurai
Keyword(s):  
Carboxylic Acid ◽  
Hydrogen Bonds ◽  
Proton Transfer ◽  
Three Dimensional ◽  
Acid Group ◽  
Pyridine Molecule ◽  
Carboxylic Acid Group ◽  
Title 1 ◽  
Dimensional Network

In the title 1:1 adduct, C6H5NO3·C6H5NO2, both molecules are almost planar (r.m.s. deviations for the non-H atoms = 0.027 and 0.023 Å for 4-nitrophenol and 2-carboxylatopyridinium, respectively). The pyridine molecule crystallizes as a zwitterion (nominal proton transfer from the carboxylic acid group to the N atom in the ring). In the crystal, inversion dimers of the zwitterions linked by pairs of N—H...O hydrogen bonds generateR22(10) loops; two 4-nitrophenol molecules link to the dimer by O—H...O hydrogen bonds, generating a four-molecule aggregate. These are linked by C—H...O interactions, forming 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 Glycinium 3-carboxy-4-hydroxybenzenesulfonate

2014 ◽  
Vol 70 (4) ◽  
pp. o397-o397 ◽  
Author(s):  
A. Thirunavukkarasu ◽  
A. Silambarasan ◽  
R. Mohan Kumar ◽  
P. R. Umarani ◽  
G. Chakkaravarthi
Keyword(s):  
Carboxylic Acid ◽  
Hydrogen Bonds ◽  
Benzene Ring ◽  
Dihedral Angle ◽  
Three Dimensional ◽  
Acid Group ◽  
Carboxylic Acid Group ◽  
Carboxylic Acid Groups ◽  
Dimensional Network

In the anion of the title salt, C2H6NO2+·C7H5O6S−, the dihedral angle between the carboxylic acid group and the benzene ring is 5.02 (12)°. In the crystal, the anions are linked into inversion dimers through pairs of O—H...O hydrogen bonds between the carboxylic acid groups and sulfonate O atoms. A pair of C—H...O interactions is also observed within each dimer. The anion dimers and the cations are linked into a three-dimensional network by N—H...O, O—H...O and C—H...O hydrogen bonds.

scholarly journals 2-(1H-Tetrazol-1-yl)acetic acid monohydrate

2012 ◽  
Vol 68 (8) ◽  
pp. o2561-o2561
Author(s):  
Wen-Xiang Wang
Keyword(s):  
Crystal Structure ◽  
Acetic Acid ◽  
Carboxylic Acid ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Acid Group ◽  
Two Dimensional ◽  
Carboxylic Acid Group ◽  
Compound C ◽  
Dimensional Network

The crystal structure of the title compound, C3H4N4O2·H2O, exhibits O—H...O and O—H...N hydrogen bonds, which lead to the formation of a two-dimensional network parallel to thebcplane. The dihedral angle between the ring and the carboxylic acid group is 84.6 (14)°.

scholarly journals Crystal structure of (E)-2-[(4-hydroxybenzylidene)azaniumyl]benzoate

2014 ◽  
Vol 70 (9) ◽  
pp. o1008-o1008 ◽  
Author(s):  
M. Nawaz Tahir ◽  
Abdul Haleem Khan ◽  
Hazoor Ahmad Shad
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Schiff Base ◽  
Carboxylic Acid ◽  
Hydrogen Bonds ◽  
Proton Transfer ◽  
Dihedral Angle ◽  
Acid Group ◽  
Aromatic Rings ◽  
Carboxylic Acid Group

The title Schiff base, C14H11NO3, crystallizes as a zwitterion (i.e.proton transfer from the carboxylic acid group to the imine N atom). The dihedral angle between the aromatic rings is 19.59 (6)° and an intramolecular N—H...O hydrogen bond closes anS(6) ring. In the crystal, inversion dimers linked by pairs of O—H...O hydrogen bonds generateR24(24) loops. The dimers are linked by C—H...O interactions, generating (211) sheets.

scholarly journals Crystal structure of 4-aminobenzoic acid–4-methylpyridine (1/1)

2015 ◽  
Vol 71 (2) ◽  
pp. o125-o126 ◽  
Author(s):  
M. Krishna Kumar ◽  
P. Pandi ◽  
S. Sudhahar ◽  
G. Chakkaravarthi ◽  
R. Mohan Kumar
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Carboxylic Acid ◽  
Hydrogen Bonds ◽  
Pyridine Ring ◽  
Acid Group ◽  
Aminobenzoic Acid ◽  
Carboxylic Acid Group ◽  
Title 1 ◽  
Bond Forming

In the title 1:1 adduct, C6H7N·C7H7NO2, the carboxylic acid group is twisted at an angle of 4.32 (18)° with respect to the attached benzene ring. In the crystal, the carboxylic acid group is linked to the pyridine ring by an O—H...N hydrogen bond, forming a dimer. The dimers are linked by N—H...O hydrogen bonds, generating (010) sheets.

Crystal structure of tofacitinib dihydrogen citrate (Xeljanz®), (C16H21N6O)(H2C6H5O7)

2021 ◽  
pp. 1-8
Author(s):  
James A. Kaduk ◽  
Amy M. Gindhart ◽  
Thomas N. Blanton
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Carboxylic Acid ◽  
Hydrogen Bonds ◽  
Powder Diffraction ◽  
Density Functional ◽  
Acid Group ◽  
Dimensional Network ◽  
Van Der Waals Contacts ◽  
Citrate Anion

The crystal structure of tofacitinib dihydrogen citrate (tofacitinib citrate) has been solved and refined using synchrotron X-ray powder diffraction data, and optimized using density functional techniques. Tofacitinib dihydrogen citrate crystallizes in space group P212121 (#19) with a = 5.91113(1), b = 12.93131(3), c = 30.43499(7) Å, V = 2326.411(6) Å3, and Z = 4. The crystal structure consists of corrugated layers perpendicular to the c-axis. Within the layers, cation⋯anion and anion⋯anion hydrogen bonds link the fragments into a two-dimensional network parallel to the ab-plane. Between the layers, there are only van der Waals contacts. A terminal carboxylic acid group in the citrate anion forms a strong charge-assisted hydrogen bond to the ionized central carboxylate group. The other carboxylic acid acts as a donor to the carbonyl group of the cation. The citrate hydroxy group forms an intramolecular charge-assisted hydrogen bond to the ionized central carboxylate. Two protonated nitrogen atoms in the cation act as donors to the ionized central carboxylate of the anion. These hydrogen bonds form a ring with the graph set symbol R2,2(8). The powder pattern has been submitted to ICDD® for inclusion in the Powder Diffraction File™ (PDF®).

scholarly journals Crystal structure of betulinic acid methanol monosolvate

2014 ◽  
Vol 70 (12) ◽  
pp. o1242-o1243 ◽  
Author(s):  
Wei Tang ◽  
Neng-Hua Chen ◽  
Guo-Qiang Li ◽  
Guo-Cai Wang ◽  
Yao-Lan Li
Keyword(s):  
Carboxylic Acid ◽  
Solvent Molecule ◽  
Acid Group ◽  
Carboxylic Acid Group ◽  
Syzygium Jambos ◽  
Carboxylic Acid Groups ◽  
Pentacyclic Triterpenoid ◽  
Naturally Occurring ◽  
Dimensional Network ◽  
Chinese Medicinal Plant

The title compound [systematic name: 3β-hydroxylup-20(29)-en-28-oic acid methanol monosolvate], C30H48O3·CH3OH, is a solvent pseudopolymorph of a naturally occurring plant-derived lupane-type pentacyclic triterpenoid, which was isolated from the traditional Chinese medicinal plantSyzygium jambos(L.) Alston. The dihedral angle between the planes of the carboxylic acid group and the olefinic group is 12.17 (18)°. TheA/B,B/C,C/DandD/Ering junctions are alltrans-fused. In the crystal, O—H...O hydrogen bonds involving the hydroxy and carboxylic acid groups and the methanol solvent molecule give rise to a two-dimensional network structure lying parallel to (001).

scholarly journals Crystal structure and hydrogen bonding in the water-stabilized proton-transfer salt brucinium 4-aminophenylarsonate tetrahydrate

2016 ◽  
Vol 72 (5) ◽  
pp. 751-755 ◽  
Author(s):  
Graham Smith ◽  
Urs D. Wermuth
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Hydrogen Bonding ◽  
Hydrogen Bonds ◽  
Proton Transfer ◽  
Network Structure ◽  
Three Dimensional ◽  
Water Molecules ◽  
Arsanilic Acid ◽  
Dimensional Network

In the structure of the brucinium salt of 4-aminophenylarsonic acid (p-arsanilic acid), systematically 2,3-dimethoxy-10-oxostrychnidinium 4-aminophenylarsonate tetrahydrate, (C23H27N2O4)[As(C6H7N)O2(OH)]·4H2O, the brucinium cations form the characteristic undulating and overlapping head-to-tail layered brucine substructures packed along [010]. The arsanilate anions and the water molecules of solvation are accommodated between the layers and are linked to them through a primary cation N—H...O(anion) hydrogen bond, as well as through water O—H...O hydrogen bonds to brucinium and arsanilate ions as well as bridging water O-atom acceptors, giving an overall three-dimensional network structure.

Isolated complexes of the amino acid arginine with polyether and polyamine macrocycles, the role of proton transfer

2017 ◽  
Vol 19 (46) ◽  
pp. 31345-31351 ◽  
Author(s):  
Juan Ramón Avilés-Moreno ◽  
Giel Berden ◽  
Jos Oomens ◽  
Bruno Martínez-Haya
Keyword(s):  
Amino Acid ◽  
Carboxylic Acid ◽  
Proton Transfer ◽  
Acid Group ◽  
Side Group ◽  
Carboxylic Acid Group

Protonated arginine interacts with 12-crown-4 through the guanidinium side group. In the complex with the N-substituted analog cyclen, the dominant conformation is the result of the proton transfer from the carboxylic acid group of the amino acid to the macrocycle.

scholarly journals Crystal structure of (E)-4-{2-[4-(allyloxy)phenyl]diazenyl}benzoic acid

2014 ◽  
Vol 70 (12) ◽  
pp. 499-502
Author(s):  
Md. Lutfor Rahman ◽  
Mashitah Mohd. Yusoff ◽  
Jamil Ismail ◽  
Huey Chong Kwong ◽  
Ching Kheng Quah
Keyword(s):  
Crystal Structure ◽  
Carboxylic Acid ◽  
Hydrogen Bonds ◽  
Benzoic Acid ◽  
Title Compound ◽  
Acid Group ◽  
Dihedral Angles ◽  
Carboxylic Acid Group ◽  
Compound C ◽  
Benzene Rings

The title compound, C16H14N2O3, has anEconformation about the azobenzene [—N=N– = 1.2481 (16) Å] linkage. The benzene rings are almost coplanar [dihedral angle = 1.36 (7)°]. The O atoms of the carboxylic acid group are disordered over two sets of sites and were refined with an occupancy ratio of 0.5:0.5. The two disordered components of the carboxylic acid group make dihedral angles of 1.5 (14) and 3.8 (12)° with the benzene ring to which they are attached. In the crystal, molecules are linkedviapairs of O—H...O hydrogen bonds, forming inversion dimers. The dimers are connectedviaC—H...O hydrogen bonds, forming ribbons lying parallel to [120]. These ribbons are linkedviaC—H...π interactions, forming slabs parallel to (001).

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