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

Table 3

Selected bond angles (°).

Bond angle	Experimental	Theoretical
C5–N2–C4	122.62(11)	122.05 ^a
N4–N3–C5	119.20(11)	119.72 ^a
O2–N4–N3	124.57(11)	122.29 ^a
O1–N4–N3	114.46(12)	115.07 ^a
C5–N5–C6	122.82(12)	125.09 ^a
N2–C4–C2	113.73(12)	115.00 ^a

aItalicised values obtained from theoretical B3LYP/6-31G** calculation.