Complexation of calcium by the synthetic ionophore McN-4308, [2-(4-(diphenylmethy)-1-piperidinyl)-2-oxoethoxy]acetic acid. Crystal and molecular structure of the free acid and of the calcium complex

1982 ◽  
Vol 104 (21) ◽  
pp. 5661-5666 ◽  
Author(s):  
Patrick Van Roey ◽  
G. David Smith ◽  
William L. Duax ◽  
Michael J. Umen ◽  
Bruce E. Maryanoff
Keyword(s):  
Molecular Structure ◽  
Acetic Acid ◽  
Crystal And Molecular Structure ◽  
Free Acid ◽  
Acid Crystal ◽  
Synthetic Ionophore

An X-ray structural study of organic ligands of the complexone type. IV. Crystal and molecular structure of rac-2,3-dihydroxybutane-1,4-diamine-N,N,N?,N?-tetra-acetic acid

1983 ◽  
Vol 24 (3) ◽  
pp. 400-407
Author(s):  
A. E. Obodovskaya ◽  
L. M. Shkol'nikova ◽  
L. O. Atovmyan ◽  
I. A. Seliverstova ◽  
V. G. Yashunskii ◽  
...  
Keyword(s):  
Molecular Structure ◽  
Acetic Acid ◽  
Structural Study ◽  
Crystal And Molecular Structure ◽  
Organic Ligands ◽  
X Ray ◽  
Type Iv

The Meisenheimer rearrangement in heterocyclic synthesis. II. Synthesis and X-ray crystal structure of a tetrahydro-1H-2,3-benzoxazocine and preparation of a hexahydro-2,3-benzoxazonine

1980 ◽  
Vol 33 (6) ◽  
pp. 1323 ◽  
Author(s):  
JB Bremner ◽  
EJ Browne ◽  
PE Davies ◽  
CLWAH Raston
Keyword(s):  
Molecular Structure ◽  
Crystal Structure ◽  
Acetic Acid ◽  
Crystal And Molecular Structure ◽  
Phosphorus Oxychloride ◽  
Crystallographic Analysis ◽  
Heterocyclic Synthesis ◽  
Reaction Conditions ◽  
X Ray ◽  
Heterocyclic Derivatives

The heterocyclic derivatives, 8,9-dimethoxy-3-methyl-1-phenyl-3,4,5,6- tetrahydro-1H-2,3-benzoxazocine(3a) and 9,10-dimethoxy-3-methyl-1- phenyl-1,3,4,5,6,7-hexahydro-2,3-benzoxazonine (3b),examples of two new ring systems, have been prepared by Meisenheimer rearrangement of the corresponding 2-benzazepine and 2-benzazocine N-oxide derivatives (2a) and (2b). The Bischler-Napieralski-type cyclization reaction was used in the preparation of the tertiary amine precursors of these N-oxides reaction conditions for the cyclization were critical and phosphorus oxychloride in refluxing butanenitrile was found to give the best yields of the seven- or eight-membered cyclic imine intermediates. Reductive cleavage of the benzoxazocine derivative (3a) with zinc in acetic acid followed by N-methylation gave the expected product, [2-{3- (dimethylamino)propyl}-4,5-di-methoxyphenyl]phenylmethanol (12). The crystal and molecular structure of (3a) has been determined by X-ray crystallographic analysis.

Crystal and molecular structure ofcis- andtrans-2,4-dihydroxy-2,4-dimethylcyclohexanetrans-1-acetic acid ?-lactone

1995 ◽  
Vol 6 (6) ◽  
pp. 525-531
Author(s):  
Michal W. Wieczorek ◽  
Wieslaw Majzner ◽  
Magdalena Sikora ◽  
J�zef Kula
Keyword(s):  
Molecular Structure ◽  
Acetic Acid ◽  
Crystal And Molecular Structure ◽  
Acid Lactone

1,4-Dinitroimidazole and Derivatives. Structure and Thermal Rearrangement

1989 ◽  
Vol 42 (8) ◽  
pp. 1281 ◽  
Author(s):  
MR Grimmett ◽  
ST Hua ◽  
KC Chang ◽  
SA Foley ◽  
J Simpson
Keyword(s):  
Molecular Structure ◽  
Acetic Acid ◽  
Acetic Anhydride ◽  
Glacial Acetic Acid ◽  
Crystal And Molecular Structure ◽  
Direct Methods ◽  
Thermal Rearrangement

Nitration of 4-nitroimidazole in acetic anhydride/glacial acetic acid gives 1,4-dinitroimidazole. The crystal and molecular structure of this compound have been determined by direct methods. Crystals are orthorhombic; P212121, a 5.853(3), b 9.591(8), c 10.392(5) � , V 583.4(7) � 3 , Dm 1 .76 g cm-1, Dc, 1 .80 g cm-1 (Z = 4); λ 0.71069 � ; T 173 K. The structure was refined to R = 0.048 for 926 reflections [I > 2 σ(1)]. Both 2-methyl-4-nitro- and 5-methyl-4-nitro-imidazoles N-nitrate under the same conditions. When heated in solution at 100-140�C 1,4-dinitro- and 2-methyl-1,4-dinitro-imidazoles rearrange to give C-nitro isomers and some denitration products, but 5(4)-methyl-1,4(5)-dinitroimidazole failed to give identifiable products.

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