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. 2023 Jul 18;11:1219042. doi: 10.3389/fbioe.2023.1219042

TABLE 4.

Comparison and assignment of major bands of terahertz spectra of theoretical spectrum and experimental spectrum of chlorpropamide polymorphs.

No Peaks Deviation Description
Exp. Cal.
Ⅰ-a 0.90 1.17 0.27 δR-S-N-C-N-C-C-C
Ⅰ-b 1.09 1.41 0.32 ωC-C-C
Ⅰ-c 1.29 1.64 0.35 ωR; ωC-C-C
Ⅲ-a 0.92 1.16 0.24 δR-S-N-C-N-C-C-C
Ⅲ-b 1.11 1.41 0.30 ωR; ωC-C-C
Ⅲ-c 1.23 1.67 0.44 ωR; ωN-C=O; ωC-C-C; τSO2
Ⅲ-d 1.63 1.93 0.30 δN-C-N-C-C; τR-S-C=O

δ, scissor; ω, out-of-plane bending; τ, twisting, def-torsion.