Molecular Cocrystals of Carboxylic Acids. XXXII The Crystal Structures of the Adducts of 2-Aminobenzothiazole with 3,5-Dinitrobenzoic Acid (Adduct Hydrate) and 3-Aminobenzoic Acid, and 2-Amino-2-thiazoline with 2-Aminobenzoic Acid

1998 ◽  
Vol 51 (7) ◽  
pp. 587 ◽  
Author(s):  
Daniel E. Lynch ◽  
Graham Smith ◽  
Karl A. Byriel ◽  
Colin H. L. Kennard
Keyword(s):  
Optical Properties ◽  
Proton Transfer ◽  
Crystal Structures ◽  
Carboxylic Acids ◽  
Second Order ◽  
Aminobenzoic Acid ◽  
Aromatic Carboxylic Acids ◽  
X Ray ◽  
Linear Optical Properties ◽  
Acid Adduct

Two adducts of 2-aminobenzothiazole and one of 2-amino-2-thiazoline with aromatic carboxylic acids have been synthesized and their X-ray crystal structures determined. These are 2-aminobenzothiazole with 3,5-dinitrobenzoic acid (the 1 : 1 adduct hydrate) (1), and 3-aminobenzoic acid (1 : 1) (2), and 2-amino-2-thiazoline with 2-aminobenzoic acid (1 : 1) (3). Compound (1) is a non-centrosymmetric proton-transfer complex and gave a signal of 0·30 relative to urea when tested for second-order non-linear optical properties. Compound (3) is also a proton-transfer complex but (2) is not.

Molecular Cocrystals of Carboxylic Acids. XXVIII. Nitro-Substituted Carboxylic Acids with Lewis Bases: the Crystal Structures of the Adducts of 3,5-Dinitrobenzoic Acid with N-Methylaniline (1 : 1), (4-Nitrophenyl)acetic Acid with Cyclohexane-1,4-diamine (2 : 1), and 5-Nitrosalicylic Acid with 2-Imidazolidone (2 : 1)

1998 ◽  
Vol 51 (2) ◽  
pp. 159 ◽  
Author(s):  
Graham Smith ◽  
Daniel E. Lynch ◽  
Raymond C. Bott
Keyword(s):  
Acetic Acid ◽  
Infrared Spectroscopy ◽  
Carboxylic Acid ◽  
Proton Transfer ◽  
Crystal Structures ◽  
Carboxylic Acids ◽  
Aromatic Acids ◽  
X Ray Diffraction ◽  
X Ray ◽  
Lewis Bases

A number of molecular adducts of nitro-substituted aromatic acids with Lewis bases have been prepared and characterized by infrared spectroscopy and in three cases by X-ray diffraction methods. These three compounds are the adducts of: 3,5-dinitrobenzoic acid (dnba) with N-methylaniline (nma), [(dnba)-(nma)+] (1); (4-nitrophenyl)acetic acid (4-npa) with cyclohexane-1,4-diamine (dach), [(4-npa)22-(dach)2+] (4); 5-nitrosalicylic acid (5-nsa) with 2-imidazolidone (idaz), [(5-nsa)2(idaz)] (5). Other compounds are the adducts of 3,5-dinitrobenzoic acid with 2,6-dimethylpyridine (dmp), [(dnba)(dnba)-(dmp)+] (2), and with 1-methylpyrrole-2-carboxylic acid (cmp), [(dnba)-(cmp)+] (3). Compounds (1) and (3) have 1 : 1 stoichiometry, while (2), (4) and (5) are 2 : 1 adducts. Proton transfer occurs in most examples [complex (5) is the exception].

A comment upon the second-order non-linear optical properties of 2,4-bis(N-octadecylpyrrol-2-yl)squaraine

1998 ◽  
Vol 327-329 ◽  
pp. 461-464 ◽  
Author(s):  
G.J Ashwell ◽  
G Jefferies ◽  
A Green ◽  
K Skjonnemand ◽  
N.D Rees ◽  
...  
Keyword(s):  
Optical Properties ◽  
Second Order ◽  
Non Linear ◽  
Linear Optical Properties ◽  
Linear Optical

scholarly journals A computational study on how structure influences the optical properties in model crystal structures of amyloid fibrils

2017 ◽  
Vol 19 (5) ◽  
pp. 4030-4040 ◽  
Author(s):  
Luca Grisanti ◽  
Dorothea Pinotsi ◽  
Ralph Gebauer ◽  
Gabriele S. Kaminski Schierle ◽  
Ali A. Hassanali
Keyword(s):  
Optical Properties ◽  
Hydrogen Bonding ◽  
Proton Transfer ◽  
Crystal Structures ◽  
Amyloid Fibrils ◽  
Computational Study ◽  
Model Systems ◽  
Hydrogen Bonding Interactions ◽  
Model Crystal ◽  
Different Types

Different types of hydrogen bonding interactions that occur in amyloids model systems and molecular factors that control the susceptibility of the protons to undergo proton transfer and how this couples to the optical properties.

Hydrogen Bonds in "Carboxyoximes": the Case of Bomane Derivatives

2000 ◽  
Vol 55 (8) ◽  
pp. 677-684 ◽  
Author(s):  
Maciej Kubicki ◽  
Teresa Borowiak ◽  
Wiesław Z. Antkowiak
Keyword(s):  
Carboxylic Acid ◽  
Hydrogen Bonds ◽  
Crystal Structures ◽  
Carboxylic Acids ◽  
Supramolecular Structures ◽  
X Ray Diffraction ◽  
X Ray ◽  
Carboxylic Groups ◽  
Acid Function

Abstract The tendency of forming mixed carboxyl-to-oxime hydrogen bonds was tested on the series of bornane derivatives: one with the acid function only (bornane-2-endo-carboxylic acid), one with the oxime function (2,2′-diethylthiobomane-3-oxime), and one with both oxime and carboxylic functions (bornane-2-oxime-3-endo-carboxylic acid). The crystal structures of these compounds were determined by means of X-ray diffraction. In bornane-2-endo-carboxylic acid and 2,2′-diethylthiobornane-3-oxime 'homogenic' hydrogen bonds were found, and these hydrogen bonds close eight-and six-membered rings, respectively. By contrast, in bornane-2-oxime-3-endo-carboxylic acid 'heterogenic' hydrogen bonds between carboxylic and oxime bonds were found. This carboxylic-oxime, or 'carboxyoxime' system is almost always present in compounds which have both oxime and carboxylic groups; therefore it can be regarded as an element of supramolecular structures (synthon). The presence of such synthons can break the tendency of carboxylic acids and oximes towards crystallizing in centrosymmetric structures.

Synthesis, Crystal Structures, and Second-Order Nonlinear Optical Properties of New Chiral Ferrocenyl Materials

1999 ◽  
Vol 18 (1) ◽  
pp. 21-29 ◽  
Author(s):  
Gilbert G. A. Balavoine ◽  
Jean-Claude Daran ◽  
Gabriel Iftime ◽  
Pascal G. Lacroix ◽  
Eric Manoury ◽  
...  
Keyword(s):  
Optical Properties ◽  
Crystal Structures ◽  
Nonlinear Optical ◽  
Second Order ◽  
Nonlinear Optical Properties
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