Table 2. Comparison of Bond Lengths for 1.

		length/Å				length/Å
atom	atom	XRD	DFT	atom	atom	XRD	DFT
O1	C14	1.369(3)	1.36269	C7	C2	1.406(3)	1.41684
N1	C7	1.429(3)	1.41726	C7	C6	1.390(3)	1.40752
N1	C8	1.291(3)	1.30560	C14	C13	1.389(3)	1.40376
C9	C10	1.401(3)	1.41379	C2	C3	1.391(4)	1.40183
C9	C14	1.405(3)	1.42294	C2	C1	1.515(4)	1.51024
C9	C8	1.456(3)	1.44639	C13	C12	1.384(4)	1.39024
C10	C11	1.393(3)	1.39265	C6	C5	1.386(4)	1.39629
C11	C12	1.400(4)	1.41536	C3	C4	1.373(4)	1.39968
C11	C15	1.516(3)	1.51293	C5	C4	1.376(4)	1.39857