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.

scholarly journals Crystal structure of 2-benzenesulfonamido-3-hydroxypropanoic acid

2015 ◽  
Vol 71 (11) ◽  
pp. o902-o903
Author(s):  
Nabila Jabeen ◽  
Misbah Mushtaq ◽  
Muhammad Danish ◽  
Muhammad Nawaz Tahir ◽  
Muhammad Asam Raza
Keyword(s):  
Crystal Structure ◽  
Carboxylic Acid ◽  
Hydrogen Bonds ◽  
Benzene Ring ◽  
Dihedral Angle ◽  
Title Compound ◽  
Acid Group ◽  
Carboxylic Acid Group ◽  
Sulfonyl Group ◽  
Compound C

In the title compound, C9H11NO5S, the O=S=O plane of the sulfonyl group is twisted at a dihedral angle of 52.54 (16)° with respect to the benzene ring. The dihedral angle between the carboxylic acid group and the benzene ring is 49.91 (16)°. In the crystal, C—H...O, N—H...O and O—H...O hydrogen bonds link the molecules into (001) sheets.

scholarly journals 5-Diethylamino-2-[(E)-(2,4-dimethoxyphenyl)iminomethyl]phenol

2012 ◽  
Vol 68 (6) ◽  
pp. o1587-o1587 ◽  
Author(s):  
Esen Nur Kantar ◽  
Yavuz Köysal ◽  
Sümeyye Gümüş ◽  
Erbil Ağar ◽  
Mustafa Serkan Soylu
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Schiff Base ◽  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Tautomeric Form ◽  
Crystal Packing ◽  
Stacking Interactions ◽  
Aromatic Rings ◽  
Centroid Distance

The title Schiff base, C19H24N2O3, exists in the crystal structure in the phenol–imine tautomeric form with an intramolecular O—H...N hydrogen bond. The planes of the aromatic rings form a dihedral angle of 36.8 (8)°. The crystal packing is characterized by C—H...O hydrogen bonds and π–π stacking interactions [centroid–centroid distance = 3.478 (4)Å].

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 (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).

scholarly journals 2-[1-(4-Bromophenyl)-2-nitroethyl]hexanoic acid

2014 ◽  
Vol 70 (5) ◽  
pp. o518-o518
Author(s):  
Yanpeng Zhang ◽  
Can Zhang ◽  
Ai-Bao Xia
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Carboxylic Acid ◽  
Nitro Group ◽  
Benzene Ring ◽  
Acid Group ◽  
Hexanoic Acid ◽  
Dihedral Angles ◽  
Carboxylic Acid Group

In the crystal structure of the title compoud, C14H18BrNO4, molecules are linked by a strong O—H...O hydrogen bond and weaker C—H...O interactions. The benzene ring makes dihedral angles of 3.67 (3) and 72.63 (3)° with the carboxylic acid group and the nitro group, respectively.

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 3-{(E)-[(3,4-dichlorophenyl)imino]methyl}benzene-1,2-diol

2015 ◽  
Vol 71 (2) ◽  
pp. o137-o138 ◽  
Author(s):  
Muhammad Nawaz Tahir ◽  
Hazoor Ahmad Shad ◽  
Abdul Rauf ◽  
Abdul Haleem Khan
Keyword(s):  
Crystal Structure ◽  
Schiff Base ◽  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Aromatic Rings ◽  
Methyl Benzene

In the title Schiff base, C13H9Cl2NO2, which arose from the condensation of 3,4-dichloroaniline with 2,3-dihydroxybenzaldehyde, the dihedral angle between the aromatic rings is 44.74 (13)°. Intramolecular O—H...O and O—H...N hydrogen bonds closeS(5) andS(6) rings, respectively. In the crystal, inversion dimers linked by pairs of O—H...O hydrogen bonds generateR22(10) loops. A weak C—H...π interaction is also observed.

scholarly journals Crystal structure of 1,3-dihydroxy-2-(hydroxymethyl)propan-2-aminium 2-(4-isobutylphenyl)propanoate: a simple organic salt of racemic ibuprofen

2015 ◽  
Vol 71 (8) ◽  
pp. 923-925
Author(s):  
Benyong Lou
Keyword(s):  
Crystal Structure ◽  
Carboxylic Acid ◽  
Hydrogen Bonds ◽  
Acid Group ◽  
Organic Salt ◽  
Carboxylic Acid Group ◽  
Racemic Ibuprofen

In the title organic salt of ibuprofen with trometamol, C4H12NO3+·C13H17O2−, the carboxylic acid group of ibuprofen has transferred its proton to the amino N atom of trometamol. In the crystal, the trometamol cations are linkedviaN—H...O hydrogen bonds, forming chains along [001]. To these chains are attached the ibuprofen anionsviaO—H...O and N—H...O hydrogen bonds. The chains are linkedviafurther N—H...O and O—H...O hydrogen bonds, forming sheets parallel to (100). Two C atoms of the propanoate substituent in the ibuprofen anion are disordered over two sets of sites and were refined with a fixed occupancy ratio of 0.7:0.3.

scholarly journals 1-{2-[(4-Hydroxy-3-methoxybenzylidene)amino]ethyl}-3-methylimidazolium hexafluorophosphate

2009 ◽  
Vol 65 (6) ◽  
pp. o1427-o1427 ◽  
Author(s):  
Bin Li ◽  
Yi-Qun Li ◽  
Jie Liu ◽  
Wen-Jie Zheng
Keyword(s):  
Molecular Structure ◽  
Crystal Structure ◽  
Hydrogen Bond ◽  
Schiff Base ◽  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Base Salt ◽  
Ring Motif

In the title Schiff base salt, C14H18N3O2+·PF6−, the dihedral angle between the planes of the aromatic and imidazole rings is 24.84 (8)°. The molecular structure exhibits an intramolecular O—H...O hydrogen bond, which generates anS(5) ring motif. In the crystal structure, the cations and anions are connectedviaO—H...N and O—H...F hydrogen bonds, resulting in a trifurcated interaction for the phenolic H atom.

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