Table 5. Comparison of Bond Angles for 2.

			angle/deg					angle/deg
atom	atom	atom	XRD	DFT	atom	atom	atom	XRD	DFT
C13	O2	C16	117.40(17)	118.77	C10	C15	C14	122.14(19)	121.38
C8	N1	C9	119.75(19)	120.34	C3	C4	C5	121.7(2)	121.80
C6	C7	C2	118.67(17)	119.01	C15	C14	C13	119.2(2)	119.33
C6	C7	C8	120.39(16)	120.59	O2	C13	C14	124.2(2)	124.39
C2	C7	C8	120.94(18)	120.39	O2	C13	C12	116.67(19)	115.52
C6	C5	C4	117.12(19)	117.66	C12	C13	C14	119.1(2)	120.08
C6	C5	C1	121.39(19)	121.63	C15	C10	C11	117.6(2)	118.31
C4	C5	C1	121.5(2)	120.70	C15	C10	C9	120.9(2)	120.93
C5	C6	C7	122.47(18)	122.01	C11	C10	C9	121.4(2)	120.72
O1	C2	C7	121.33(18)	121.46	C4	C3	C2	120.77(19)	120.12
O1	C2	C3	119.45(17)	119.16	C11	C12	C13	120.7(2)	119.78
C3	C2	C7	119.23(19)	119.36	C12	C11	C10	121.3(2)	121.09
N1	C8	C7	121.94(18)	122.005	N1	C9	C10	109.66(17)	111.58