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Table 4 The experimental and calculated geometric parameters of thiazolidinone 6

From: A novel synthesis, X-ray analysis and computational studies of (Z)-ethyl 2-((Z)-5-((dimethylamino)methylene)- 4-oxo-3-phenylthiazolidin-2-ylidene)acetate as a potential anticancer agent

Bond distancesCalc.X-rayBond anglesCalc.X-ray
R(1–4)1.7731.746A(4-1-6)91.091.6
R(1–6)1.7861.763A(1-4-3)111.0110.6
R(2–9)1.2231.226A(1-4-10)123.9124.1
R(3–4)1.3871.385A(1-6-9)111.6111.7
R(3–9)1.4171.412A(1-6-20)131.0129.0
R(3–30)1.4351.436A(2-9-3)122.8122.1
R(4–10)1.3621.361A(2-9-6)127.8128.7
R(5–12)1.2271.222A(4-3-9)116.9116.8
R(6–9)1.4631.444A(4-3-30)122.8122.5
R(6–20)1.3631.369A(3-4-10)125.2125.3
R(7–20)1.3571.330A(9-3-30)120.2120.8
R(7–22)1.4561.454A(3-9-6)109.5109.3
R(7–26)1.4561.454A(3-30-31)119.9120.1
R(8–12)1.3601.356A(3-30-39)119.6118.7
R(8–13)1.4411.453A(4-10-12)121.0119.8
R(10–12)1.4481.444A(5-12-8)122.6122.2
R(13–16)1.5171.506A(5-12-10)125.7125.5
R(30–31)1.3971.391A(9-6-20)117.4119.2
R(30–39)1.3961.388A(6-20-7)132.2130.3
R(31–33)1.3941.391A(20-7-22)123.4122.2
R(33–35)1.3961.389A(20-7-26)119.3121.1
R(35–37)1.3961.390A(22-7-26)115.6116.3
R(37–39)1.3941.390A(7-22-23)110.6109.5
   A(7-22-24)108.9109.5
   A(12-8-13)115.6114.9
   A(8-12-10)111.8112.3
   A(8-13-16)107.4107.4
   A(11-10-12)118.8120.1
   A(31-30-39)120.5121.2
   A(30-31-33)119.6118.9
   A(30-39-37)119.6119.4
   A(32-31-33)120.8120.6
   A(31-33-35)120.1120.5
   A(33-35-37)119.9120.0
   A(35-37-39)120.2120.1
R20.9979 0.9936
  1. R2: correlation coefficient