Understanding the thermal stability of apalutamide crystalline solvates through crystal structure analyses and computational studies

Author:

Prashanth Jupally12,Sivalakshmi Devi A.3,Surov Artem O.4ORCID,Voronin Alexander P.4ORCID,Churakov Andrei V.5ORCID,Perlovich German L.4ORCID,Balasubramanian Sridhar12ORCID

Affiliation:

1. Centre for X-ray Crystallography, Department of Analytical & Structural Chemistry, CSIR-Indian Institute of Chemical Technology, Tarnaka, Uppal Road, Hyderabad-500007, Telangana, India

2. Academy of Scientific and Innovative Research (AcSIR), Uttar Pradesh-201 002, India

3. Laurus Labs Ltd., DS-1, IKP Knowledge Park, Turkapally, Shameerpet, Hyderabad-500078, India

4. G.A. Krestov Institute of Solution Chemistry RAS, 153045, Ivanovo, Russia

5. Institute of General and Inorganic Chemistry RAS, Leninsky Prosp. 31, 119991, Moscow, Russia

Abstract

The conformational flexibility of APA molecules leads to different crystal packing. The stability of the solvent molecules in the crystal structures was established through their strong intermolecular interactions with the host molecule.

Funder

Russian Foundation for Basic Research

Department of Science and Technology, Ministry of Science and Technology, India

Publisher

Royal Society of Chemistry (RSC)

Subject

Condensed Matter Physics,General Materials Science,General Chemistry

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