Work

Structure of entinostat Form B, C 21 H 20 N 4 O 3 , derived using laboratory powder diffraction data and density functional techniques

Year: 2025

Type: article

Abstract: The crystal structure of entinostat Form B, C 21 H 20 N 4 O 3 , has been solved and refined using laboratory X-ray powder diffraction data, and optimized using density functional techniques. Entinostat crystallizes in space group Pna 2 1 and the crystal structure consists of interlocking layers of entinostat molecules parallel to the bc plane. A strong N—H...N hydrogen bond links the molecules into zigzag chains propagating along the b -axis direction. The graph set for this pattern is C 1 1 (8). Two N—H...O hydrogen bonds link the molecules along the c -axis direction. The graph sets for this pattern are C 1 1 (4) and C 1 1 (7).

Source: Acta Crystallographica Section E Crystallographic Communications

DOI: 10.1107/s2056989025007406

Authors: James A. Kaduk, Sunil Kumar Rai

Institutions: North Central College, University of Lucknow

Language: English

Topic: X-ray Diffraction in Crystallography

Subfield: Materials Chemistry

Field: Materials Science

Domain: Physical Sciences

Open Access status: gold

Estimated APC paid: $500

Funders: Arthritis National Research Foundation, Science and Engineering Research Board