Peer-reviewed veterinary case report
Structure of entinostat Form B, C<sub>21</sub>H<sub>20</sub>N<sub>4</sub>O<sub>3</sub>, derived using laboratory powder diffraction data and density functional techniques.
- Year:
- 2025
- Authors:
- Kaduk JA & Rai SK.
- Affiliation:
- Department of Chemistry North Central College · United States
Abstract
The crystal structure of entinostat Form B, C<sub>21</sub>H<sub>20</sub>N<sub>4</sub>O<sub>3</sub>, has been solved and refined using laboratory X-ray powder diffraction data, and optimized using density functional techniques. Entinostat crystallizes in space group <i>Pna</i>2<sub>1</sub> and the crystal structure consists of inter-locking layers of entinostat mol-ecules parallel to the <i>bc</i> plane. A strong N-H⋯N hydrogen bond links the mol-ecules into zigzag chains propagating along the <i>b</i>-axis direction. The graph set for this pattern is <i>C</i> <sup>1</sup> <sub>1</sub>(8). Two N-H⋯O hydrogen bonds link the mol-ecules along the <i>c</i>-axis direction. The graph sets for this pattern are <i>C</i> <sup>1</sup> <sub>1</sub>(4) and <i>C</i> <sup>1</sup> <sub>1</sub>(7).
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Search related cases →Original publication: https://europepmc.org/article/MED/40918574