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Crystal structure of zwitterionic 4-(ammoniomethyl)benzoate: a simple molecule giving rise to a complex supramolecular structure
(2014)
The asymmetric unit of the title compound, C8H9NO2 H2O consists of an
isolated 4-(ammoniomethyl)benzoate zwitterion derived from 4-aminomethylbenzoic
acid through the migration of the acidic proton, together with a ...
Crystal structure of 4,4 -(disulfanediyl)dibutanoic acid–4,4 -bipyridine (1/1)
(2014)
4,40-(Disulfanediyl)dibutanoic acid (dtba) and 4,40-bipyridine (4,40-bpy) crystallize
in an 1:1 ratio, leading to the title co-crystal with composition
C8H14O4S2 C10H8N2. A distinctive feature of the crystal structure ...
Crystal, Molecular, and Electronic Structure of 1-Acetyl-indoline and Derivatives
(1998-12-01)
The crystal and molecular structures of the following molecules have been determined: 1-acetyl-indoline, 1-acetyl-5-nitro-indoline, 1-acetyl-5-nitro-7-bromo-indoline, 1-acetyl-5-bromo-7-nitro-indoline, and 1-acetyl-5-bro ...
Crystal, Molecular, and Electronic Structure of 1-Acetyl-indoline and Derivatives
(1998-12-01)
The crystal and molecular structures of the following molecules have been determined: 1-acetyl-indoline, 1-acetyl-5-nitro-indoline, 1-acetyl-5-nitro-7-bromo-indoline, 1-acetyl-5-bromo-7-nitro-indoline, and 1-acetyl-5-bro ...
Modified Genetic Algorithm to Model Crystal Structures: III. Determination of Crystal Structures Allowing Simultaneous Molecular Geometry Relaxation
(John Wiley & Sons Inc, 2004-12)
The modified genetic algorithm (MGAC) has been extended to allow simultaneous relaxation of molecular geometry during optimization of the crystalline structure. The method was applied to L-alanine and DL-alanine for two ...
CRYSTAL STRUCTURE OF 5,6,8,12b-TETRAHYDRODIOXOLO[4,5-g]ISOINDOLO[1,2-a]ISOQUINOLIN-8-ONE (C17H13NO3)
(Sociedad Chilena de Química, 2009-07-03)
The title compound was prepared by cyclization of 2-(3,4-methylenedioxyphenyl)ethyl-3-hydroxyisoindolin-1-one in concentrated hydrochloric acid. The compound crystallizes in the orthorhombic space group Pca21 (No. 29) with ...