Table 3. Comparison of Bond Angles for 1.

			angle/deg					angle/deg
atom	atom	atom	XRD	DFT	atom	atom	atom	XRD	DFT
C8	N1	C7	119.3(2)	122.80	O1	C14	C13	119.0(2)	119.18
C10	C9	C14	118.7(2)	118.86	C13	C14	C9	119.7(2)	119.49
C10	C9	C8	119.2(2)	120.43	N1	C8	C9	122.6(2)	121.93
C14	C9	C8	122.1(2)	120.70	C7	C2	C1	120.6(2)	120.90
C11	C10	C9	122.4(2)	122.03	C3	C2	C7	117.5(2)	118.16
C10	C11	C12	117.0(2)	117.70	C3	C2	C1	121.9(2)	120.92
C10	C11	C15	121.2(3)	121.66	C12	C13	C14	120.2(2)	120.07
C12	C11	C15	121.8(2)	120.63	C13	C12	C11	121.9(2)	121.83
C2	C7	N1	118.2(2)	117.86	C5	C6	C7	120.3(2)	120.57
C6	C7	N1	121.5(2)	121.98	C4	C3	C2	122.4(3)	121.66
C6	C7	C2	120.2(2)	120.11	C4	C5	C6	120.1(3)	119.73
O1	C14	C9	121.3(2)	121.31	C3	C4	C5	119.6(3)	119.71