Table 3. Intra- and Intermolecular Interactions and π···π Stacking Interactions of DDD and MDD^a.

D–H···A	symmetry	D···A (Å)	∠D–H···A (°)
MDD
N1–H1···O2	1 –x, –y, 1 – z	2.723(5)	167
N2–H2···O7	1 –x, −y, –z	2.953 (6)	115
N2–H2···O8	–2 +x, y, –1 + z	2.833 (6)	157
Cg3···Cg3	–x, –y, –z	4.678(9)
DDD
N4–H4···O4	1 – x + 2, y + 1/2, –z + 3/2	2.754(2)	157.6
N1–H1···O6	intra	2.743(3)	171.3
N3–H3···N2	intra	2.685(2)	174.2

^aC3 ring denotes ring N1, N2, and C14–C16.