Table 4. Comparison of Bond Lengths for 2.

		length/Å				length/Å
atom	atom	XRD	DFT	atom	atom	XRD	DFT
O1	C2	1.349(2)	1.36418	C5	C1	1.508(3)	1.51307
O2	C13	1.369(3)	1.39087	C2	C3	1.384(3)	1.40416
O2	C16	1.427(3)	1.45136	C15	C14	1.384(3)	1.40049
N1	C8	1.270(3)	1.29816	C15	C10	1.380(3)	1.40006
N1	C9	1.469(3)	1.47542	C4	C3	1.373(3)	1.39055
C7	C6	1.397(3)	1.41150	C14	C13	1.391(3)	1.40059
C7	C2	1.406(3)	1.42516	C13	C12	1.386(3)	1.40358
C7	C8	1.459(3)	1.45195	C10	C11	1.386(3)	1.40704
C5	C6	1.385(3)	1.39386	C10	C9	1.510(3)	1.51644
C5	C4	1.399(3)	1.41432	C12	C11	1.370(4)	1.39202