Table 2.

List of selected bond lengths (Å) and bond angle (^o) of compound 1.

Experimental	B3LYP-631G		Experimental		B3LYP-631G
List of bond lengths
O1-C1	1.455(6)	1.436	C21-O5	1.448(6)	1.429
O2-C8	1.411(8)	1.423	C15-C16	1.563(6)	1.531
O3-C15	1.450(5)	1.436	C16-C20	1.534(6)	1.580
O4-C20	1.428(6)	1.418	C16-C17	1.552(6)	1.584
N1-C9	1.486(6)	1.470	C18-C19	1.549(6)	1.530
N1-C11	1.490(6)	1.466	C17-C18	1.562(6)	1.622
N1-C10	1.499(5)	1.526	C19-C21	1.547(7)	1.560
O5-C23	1.410(6)	1.421
List of bond angles
C8-O2-C7	113.6(5)	115.61	C13-C15-C22	111.9(3)	114.95
C23-O5-C21	114.4(4)	116.08	O3-C15-C16	108.1(3)	111.04
C9-N1-C11	110.4(3)	112.29	C17-C16-C15	113.5(3)	115.05
C9-N1-C10	112.3(3)	114.02	C20-C16-C15	109.8(3)	112.52
O1-C1-C2	110.8(4)	112.09	C16-C17-C18	103.6(3)	105.53