Journal of Crystallography

Research Article

Quantitative Crystal Structure Analysis of (E)-1-[(2-Chloro-1,3-thiazol-5-yl)methyl]-3-methyl-2-nitroguanidine

Table 2

Selected torsion angles (°).
TorsionExperimentalTheoretical
N2–C4–C2–C3 120.30(15)108.32 a
N4–N3–C5–N2 177.80(12)176.26 a
C4–N2–C5–N5 179.69(13) 176.02 a
C6–N5–C5–N3 179.33(14)175.48 a
C5–N2–C4–C2101.15(16)98.68 a
Italicised values obtained from theoretical B3LYP/6-31G** calculation.