. 2021 Jan 28;7(1):e06044. doi: 10.1016/j.heliyon.2021.e06044

Table 2.

X-ray structure data of n-alkylamino-3R-naphthalene-1,4-diones.

Compound	Space group	CCDC	N–H···O	C–H···O	Cl···π/π···π	Bifurcated hydrogen through O(1)/O(4)
Cl-1	P -1	907096	√	√	π···π	O(1), O(4)
Cl-2	Pca2₁	907097	√	√	Cl···π	-
Cl-3	P-1	907098	√	√	π···π	O(1)
Cl-4	P2₁	925343	√	√	π···π/Cl···π	O(4)
Cl-6	P2₁/C	925344	√	√	C–H···π	-
Cl-8	P2₁/C	924571	√	√	π···π	-
Br-3	P-1	949769	√	√	π···π	O(4)
Br-2	P c a 2₁	953429	√	×	Br···π	-
M-1	C2/C	640771	√	√	C–H···π/π···π	O(1)/O(4)
M-2	C2/C	1446868	√	√	C–H···π	O(4)
M-3	P1	1021052	√	√	π···π	O(4)
M-6	P2₁	1446870	√	√	C–H···π	O(4)
H-2	P2₁/C	975344	√	√	-	O(4)
H-3	P2₁/C	1417468	√	√	π···π	O(1)/O(4)
H-4	P-1	1426148	√	√	π···π	O(4)
H-6	P-1	975345	√	√	C···O, C···N	-
H-8	P-1	1417469	√	√	C···O	-