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Quantitative comparisons between α, β, γ, and δ pyrazinamide (PZA) polymorphs.
- Source :
-
Research on Chemical Intermediates . Oct2015, Vol. 41 Issue 10, p7059-7072. 14p. - Publication Year :
- 2015
-
Abstract
- The quantitative visualizations and comparisons between the four pyrazinamide (PZA) polymorphs (α, β, γ and δ) have been investigated by graphical tools based on three-dimensional Hirshfeld surfaces and two-dimensional fingerprint plots. The comparisons were performed in terms of crystal structure, d, Shape index, Curvedness and d surfaces, and fingerprint plots. The results revealed that the α and γ forms featured with 1D chains and the π···π stacking motifs belong to γ-motif, rich in π···π interactions and form infinite face-to-face stacks, β and δ forms featured with dimer unit and the π···π stacking motifs belong to γ- and herringbone-motif, respectively, the herringbone motif of δ form rich in C-H···π and edge-to-face interactions. We also correlated the phase transformation points of α, β, and δ PZA forms with the ratio of the percentage surface coverage of the N-H···O hydrogen bonds over that of the N-H···N hydrogen bonds, and found a negative correlation. [ABSTRACT FROM AUTHOR]
- Subjects :
- *PYRAZINES
*POLYMORPHIDA
*PYRAZINAMIDE
*ANTITUBERCULAR agents
*ASEPTOLIN
Subjects
Details
- Language :
- English
- ISSN :
- 09226168
- Volume :
- 41
- Issue :
- 10
- Database :
- Academic Search Index
- Journal :
- Research on Chemical Intermediates
- Publication Type :
- Academic Journal
- Accession number :
- 109419457
- Full Text :
- https://doi.org/10.1007/s11164-014-1798-z