Polymorphism inp-Hydroxybenzoic Acid: The Effect of Intermolecular Hydrogen Bonding in Controlling Proton Order versus Disorder in the Carboxylic Acid Dimer Motif

2000 ◽  
Vol 112 (24) ◽  
pp. 4659-4662 ◽  
Author(s):  
Benson M. Kariuki ◽  
Clare L. Bauer ◽  
Kenneth D. M. Harris ◽  
Simon J. Teat
Keyword(s):  
Hydrogen Bonding ◽  
Carboxylic Acid ◽  
Hydroxybenzoic Acid ◽  
Intermolecular Hydrogen Bonding ◽  
Carboxylic Acid Dimer

Inhibitors of the geotropic response in plants. The crystal structures of 2-[(Naphthalen-2-yl)carbamoyl]benzoic acid (β-Naptalam), 2-(Phenylcarbamoyl)-benzoic acid and 2-(5-Phenyl-1,3,4-oxadiazol-2-yl)benzoic acid

1983 ◽  
Vol 36 (12) ◽  
pp. 2455 ◽  
Author(s):  
G Smith ◽  
CHL Kennard ◽  
GF Katekar
Keyword(s):  
Hydrogen Bonding ◽  
Carboxylic Acid ◽  
Benzoic Acid ◽  
Crystal Structures ◽  
Carboxylic Acids ◽  
Intermolecular Hydrogen Bonding ◽  
X Ray Diffraction ◽  
X Ray ◽  
Carboxylic Acid Groups ◽  
Phthalamic Acid

The crystal structures of three geotropically active phthalamic acid derivatives have been determined by means of X-ray diffraction and the structural systematics for the series compared. The three acids are conformationally similar and, in contrast to the tendency among carboxylic acids to form hydrogen-bonded dimers, they exist as monomers with intermolecular hydrogen bonding between the carboxylic acid groups and the nitrogen or oxygen of the amide side chains.

scholarly journals Crystallographic and spectroscopic characterization of (R)-O-acetylmandelic acid

2016 ◽  
Vol 72 (7) ◽  
pp. 901-903
Author(s):  
Cady Cirbes ◽  
Joseph M. Tanski
Keyword(s):  
Hydrogen Bonding ◽  
Carboxylic Acid ◽  
Mandelic Acid ◽  
Phenylacetic Acid ◽  
Spectroscopic Characterization ◽  
Acid Group ◽  
Intermolecular Hydrogen Bonding ◽  
Carboxylic Acid Group ◽  
Donor Acceptor

The title compound [systematic name: (R)-(−)-2-acetoxy-2-phenylacetic acid], C10H10O4, is a resolved chiral ester derivative of mandelic acid. The compound contains an acetate group and a carboxylic acid group, which engage in intermolecular hydrogen bonding, forming chains extending parallel to [001] with a short donor–acceptor hydrogen-bonding distance of 2.676 (2) Å.

The interaction of D-penicillamine with aldehydes and ketones: 2-phenyl-5,5-dimethylthiazolidine-4-carboxylic acid

1994 ◽  
Vol 72 (7) ◽  
pp. 1621-1624 ◽  
Author(s):  
R.A. Bell ◽  
J.F. Britten ◽  
H.E. Howard-Lock ◽  
C.J.L. Lock ◽  
M. Schmidt
Keyword(s):  
Hydrogen Bonding ◽  
Carboxylic Acid ◽  
Nmr Spectra ◽  
Room Temperature ◽  
Intermolecular Hydrogen Bonding ◽  
X Ray Diffraction ◽  
X Ray ◽  
Aldehydes And Ketones ◽  
Thiazolidine Ring ◽  
C Nmr

The reaction of D-penicillamine and benzaldehyde yielded 2-phenyl-5,5-dimethylthiazolidine-4-carboxylic acid. The structure was determined by single crystal X-ray diffraction. Crystals were monoclinic, P21, a = 9.785(2), b = 6.941(1), c = 10.399(2) Å, β = 114.06(3)°, Z = 2. Intensities were measured on a Rigaku AFC6R diffractometer with Cu Kα radiation and 1881 reflections were used to determine the structure. R = 0.076, wR = 0.048. The compound exists as an amino acid in the 2S,4S configuration. The conformation of the thiazolidine ring is determined by intermolecular hydrogen bonding. Bond lengths and angles are normal. 1H and 13C NMR spectra showed that epimerization takes place in d4-CH3OH solution, and the ratio of 2S,4S diastereomer to 2R,4S diastereomer at room temperature is 65:35.

scholarly journals Exploring the Structural Chemistry of Pyrophosphoramides: N,N′,N″,N‴-Tetraisopropylpyrophosphoramide

Chemistry ◽  
2021 ◽  
Vol 3 (1) ◽  
pp. 149-163
Author(s):  
Duncan Micallef ◽  
Liana Vella-Zarb ◽  
Ulrich Baisch
Keyword(s):  
Crystal Structure ◽  
Mass Spectrometry ◽  
Nuclear Magnetic Resonance ◽  
Hydrogen Bonding ◽  
Nmr Spectroscopy ◽  
Ir Spectroscopy ◽  
Room Temperature ◽  
Intermolecular Hydrogen Bonding ◽  
X Ray Diffraction ◽  
X Ray

N,N′,N″,N‴-Tetraisopropylpyrophosphoramide 1 is a pyrophosphoramide with documented butyrylcholinesterase inhibition, a property shared with the more widely studied octamethylphosphoramide (Schradan). Unlike Schradan, 1 is a solid at room temperature making it one of a few known pyrophosphoramide solids. The crystal structure of 1 was determined by single-crystal X-ray diffraction and compared with that of other previously described solid pyrophosphoramides. The pyrophosphoramide discussed in this study was synthesised by reacting iso-propyl amine with pyrophosphoryl tetrachloride under anhydrous conditions. A unique supramolecular motif was observed when compared with previously published pyrophosphoramide structures having two different intermolecular hydrogen bonding synthons. Furthermore, the potential of a wider variety of supramolecular structures in which similar pyrophosphoramides can crystallise was recognised. Proton (1H) and Phosphorus 31 (31P) Nuclear Magnetic Resonance (NMR) spectroscopy, infrared (IR) spectroscopy, mass spectrometry (MS) were carried out to complete the analysis of the compound.

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