The Molecular and Crystal Structures of Three 4-(ω-Cyanoalkyloxy)Benzoic Acids and of A 1:1 Ordered Mixed Crystal Of 4-(ω-Cyanobutyloxy)Benzoic Acid and 4-(ω-Cyanopentyloxy)Benzoic Acid Formed by Hydrogen Bonding

2003 ◽  
Vol 392 (1) ◽  
pp. 31-47 ◽  
Author(s):  
Peter Zugenmaier ◽  
Irene Bock ◽  
Jochen Schacht
Keyword(s):  
Hydrogen Bonding ◽  
Benzoic Acid ◽  
Crystal Structures ◽  
Mixed Crystal ◽  
Benzoic Acids ◽  
Molecular And Crystal Structures

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.

Synthesis, molecular, and crystal structures of 3d transition metal cyanocyclopentadienides [M(MeOH)n(H2O)4–n{C5(CN)4X}2] (M=Mn, Fe, Co, Ni, Cu, Zn; X=H, CN, NH2, NO2)

2019 ◽  
Vol 74 (1) ◽  
pp. 109-118 ◽  
Author(s):  
Karlheinz Sünkel ◽  
Dietmar Reimann ◽  
Patrick Nimax
Keyword(s):  
Hydrogen Bonding ◽  
Transition Metal ◽  
Crystal Structures ◽  
Coordination Sphere ◽  
Three Dimensional ◽  
X Ray Diffraction ◽  
X Ray ◽  
Silver Salts ◽  
Dimensional Network ◽  
Molecular And Crystal Structures

AbstractThe reaction of the 3d transition metal dichlorides MCl2 (M=Mn, Fe, Co, Ni, Cu, Zn) with the silver salts of substituted tetracyanocyclopentadienides Ag+ [C5(CN)4X]− (X=CN, H, NH2 NO2) gives the complexes [M(MeOH/H2O)4{C5(CN)4)X}2]. Nine of these complexes were characterized by X-ray diffraction and it shows that they all are mononuclear with an octahedral M(N)2(O)4 coordination sphere. In the structures, extensive hydrogen bonding leads to dense three-dimensional network structures.

THE BASICITIES OF ORTHO-SUBSTITUTED BENZOIC ACIDS

1961 ◽  
Vol 39 (12) ◽  
pp. 2508-2515 ◽  
Author(s):  
Ross Stewart ◽  
Maurice R. Granger
Keyword(s):  
Hydrogen Bonding ◽  
Benzoic Acid ◽  
Sulphuric Acid ◽  
Benzoic Acids ◽  
Methyl Ethyl ◽  
Alkyl Groups ◽  
Substituted Benzoic Acids

The basicities of 15 ortho-substituted benzoic acids have been measured in sulphuric acid. The ortho effects of alkyl groups are base weakening and increase in the expected order methyl, ethyl, i-propyl, t-butyl. Ortho halo benzoic acids have comparable basicities and are weaker than their para isomers. Oxygen-containing ortho substituents, except hydroxyl, all cause substantial base strengthening relative to the para isomers. Even the groups nitro and carboxyl when substituted ortho in benzoic acid cause the basicity to rise, presumably because of hydrogen bonding in the conjugate acids.

scholarly journals Can molecular flexibility control crystallization? The case of para substituted benzoic acids

2021 ◽  
Author(s):  
Sin Kim Tang ◽  
Roger J. Davey ◽  
Pietro Sacchi ◽  
Aurora J. Cruz-Cabeza
Keyword(s):  
Crystal Structures ◽  
Kinetic Process ◽  
Benzoic Acids ◽  
Molecular Flexibility ◽  
Conformational Effects ◽  
Molecular And Crystal Structures ◽  
Substituted Benzoic Acids ◽  
The Relationship ◽  
Control Crystallization

Little is known about the relationship between the kinetic process of nucleation and the molecular and crystal structures of a crystallizing solute. Here we compare the behaviour of a series of benzoic acids with a focus on conformational effects.

scholarly journals Crystal structures of 1-bromo-3,5-bis(4,4-dimethyl-1,3-oxazolin-2-yl)benzene 0.15-hydrate and 3,5-bis(4,4-dimethyl-1,3-oxazolin-2-yl)-1-iodobenzene

2015 ◽  
Vol 71 (10) ◽  
pp. 1125-1131
Author(s):  
Timo Stein ◽  
Frank Hoffmann ◽  
Michael Fröba
Keyword(s):  
Hydrogen Bonding ◽  
Crystal Structures ◽  
Ring Systems ◽  
Π Interactions ◽  
Molecular And Crystal Structures ◽  
Almost All ◽  
Derivatives Of

The bromo and iodo derivatives of ameta-bis(1,3-oxazolin-2-yl)-substituted benzene, C16H19BrN2O2·0.15H2O (1) and C16H19IN2O2(2), have been prepared and studied in terms of their molecular and crystal structures. While the former crystallizes as a sub-hydrate, with 0.15 formula units of water and shows an almost all-planar arrangement of the three ring systems, the latter crystallizes solvate-free with the flanking heterocycles twisted considerably with respect to the central arene. Non-covalent contacts include parallel-displaced π–π interactions and (non-classical) hydrogen bonding for both (1) and (2), as well as relatively short I...N contacts for (2).

scholarly journals Hydrogenation of benzoic acid derivatives over Pt/TiO2 under mild conditions

2021 ◽  
Vol 4 (1) ◽  
Author(s):  
Miao Guo ◽  
Xiangtao Kong ◽  
Chunzhi Li ◽  
Qihua Yang
Keyword(s):  
Electron Transfer ◽  
Benzoic Acid ◽  
High Efficiency ◽  
Carboxyl Groups ◽  
Carboxyl Group ◽  
Benzoic Acids ◽  
Catalyst Poisoning ◽  
Benzoic Acid Derivatives ◽  
Mild Conditions ◽  
Transfer Direction

AbstractHydrogenation of benzoic acid (BA) to cyclohexanecarboxylic acid (CCA) has important industrial and academic significance, however, the electron deficient aromatic ring and catalyst poisoning by carboxyl groups make BA hydrogenation a challenging transformation. Herein, we report that Pt/TiO2 is very effective for BA hydrogenation with, to our knowledge, a record TOF of 4490 h−1 at 80 °C and 50 bar H2, one order higher than previously reported results. Pt/TiO2 catalysts with electron-deficient and electron-enriched Pt sites are obtained by modifying the electron transfer direction between Pt and TiO2. Electron-deficient Pt sites interact with BA more strongly than electron-rich Pt sites, helping the dissociated H of the carboxyl group to participate in BA hydrogenation, thus enhancing its activity. The wide substrate scope, including bi- and tri-benzoic acids, further demonstrates the high efficiency of Pt/TiO2 for hydrogenation of BA derivatives.

scholarly journals The crystal structures and mechanical properties of the uranyl carbonate minerals roubaultite, fontanite, sharpite, widenmannite, grimselite and čejkaite

2020 ◽  
Vol 7 (21) ◽  
pp. 4197-4221 ◽  
Author(s):  
Francisco Colmenero ◽  
Jakub Plášil ◽  
Jiří Sejkora
Keyword(s):  
Mechanical Properties ◽  
Hydrogen Bonding ◽  
Diffraction Pattern ◽  
Crystal Structures ◽  
First Principles ◽  
X Ray Diffraction ◽  
Carbonate Minerals ◽  
X Ray ◽  
Uranyl Carbonate

The structure, hydrogen bonding, X-ray diffraction pattern and mechanical properties of six important uranyl carbonate minerals, roubaultite, fontanite, sharpite, widenmannite, grimselite and čejkaite, are determined using first principles methods.

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