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Updated: Sep 10, 2026

Synthesis and Characterization of 1,2-Dithiolane Modified Self-Assembling Peptides
Published on: August 20, 2018
Experimental charge density and electrostatic potential of glycyl-L-threonine dihydrate
F Benabicha1, V Pichon-Pesme, C Jelsch
1Laboratoire de Cristallographie et Modélisation des Matériaux Minéraux et Biologiques, Université Henri Poincaré-Nancy 1, UPRES A CNRS 7036, Faculté des Sciences, Vandoeuvre les Nancy, France.
Abstract:
The experimental electron density distribution in glycyl-L-threonine dihydrate has been investigated using single-crystal X-ray diffraction data at 110 K to a resolution of (sin theta/lambda) = 1.2 A(-1). Multipolar pseudo-atom refinement was carried out against 5417 observed data and the molecular electron density was analyzed using topological methods. The experimental electrostatic potential around the molecule is discussed in terms of molecular interactions. Crystal data: C6H12N2O4. 2H2O, Mr = 212.2, orthorhombic, P2(1)2(1)2(1), Z = 4, F(000) = 456 e, T = 110 K, a = 9.572 (3), b = 10.039 (3), c = 10.548 (2) A, V = 1013.6 (4) A3, Dx = 1.3 g cm(-3), mu = 1.2 cm(-1) for lambdaMo = 0.7107 A.
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