Conference Agenda

Presentations including 'Three-Dimensional topological analysis of the experimenta'

Poster - 21 Quantum: Quantum crystallography
Time: 17/Aug/2021: 4:40pm-5:40pm

ID: 402 / Poster - 21 Quantum: 9
All topics
Oral/poster
MS: Quantum crystallography in materials science, Quantum crystallography research, Polymorphism and structural transformation of organic crystals from synthesis to characterization, Quantum crystallographic studies on intra/inter-molecular interactions, New trends in pharmaceutical materials, Non-covalent interactions in crystal engineering
Keywords: electronic charge density; drug-drug cocrystals; multipolar refinement; atom in molecules; topology

Three-Dimensional topological analysis of the experimental and theoretical electron density of a 5-Fluorocytosine/Isoniazid cocrystal

Adilson Barros Wanderley1, Juan Carlos Tenorio2, Ihosvany Camps3, Christian W. Lehmann4, Javier Ellena1

1Instituto de Física de São Carlos - USP, C.P. 369, 13560-970, São Carlos, SP, Brazil,; 2Instituto de Química, Universidade Estadual de Campinas - Unicamp, CEP 13083-970, Campinas, SP, Brazil; 3Departamento de Física, ICEx/UNIFAL-MG, Alfenas, MG, 37133-840, Brazil,; 4Max-Planck-Institut für Kohlenforschung, 45470, Mülheim a.d Ruhr, Germany.

External Resource: https://www.xray.cz/iucrp/P_330