From: New dicoumarol sodium compound: crystal structure, theoretical study and tumoricidal activity against osteoblast cancer cells
Moiety
Theor. bond length, Ao
Exp. bond length, Ao
Theor. bond angle o
Exp. bond angle o
Na-O (coumarin)
2.40, 2.48
2.41, 2.47
O-Na-O
80.12
89.44
Na-O (methanolic)
2.32
2.31
97.08, 100.98
100.56, 106.33