Table 2. Topological Analysis of Electron Density in BCPs for X–H···N Interactions, X = {C,O}, and for C–H···Y Interactions, Y = {H,O}. Electron Density, ρ(r), and Bond Degree, BD = H(r)/ρ(r), Are Reported in Atomic Units.

	ATO’s system (Figure 9)				HTO’s system (Figure 10)
	C–H···N		C–H···Ha		O–H···N		C–H···O
	ρ(r)	H(r)/ρ(r)	ρ(r)	H(r)/ρ(r)	ρ(r)	H(r)/ρ(r)	ρ(r)	H(r)/ρ(r)
1	0.0037	0.1575	0.0067	0.1874	0.0346	–0.0914	0.0083	0.1510
2	0.0024	0.2062	0.0104	0.2067	0.0346	–0.0914	0.0083	0.1509
3	0.0101	0.1204	0.0111	0.1936	0.0346	–0.0914	0.0083	0.1509
4	0.0145	0.0544
average	0.0077	0.0218	0.0094	0.1959	0.0346	–0.0914	0.0083	0.1509

^aAverage values are shown for the ATO’s methyl group hydrogens since some of them have more than one associated BP. The properties related to all BPs can be found in Table S18 of the Supporting Information.