Molecular Docking Study of Conformational Polymorph: Building Block of Crystal Chemistry

Table 2

Intramolecular hydrogen: bonding geometry (Å and deg) for 1a and 1b.

D–H⋯A	1a				1b
	𝑑(D–H)	𝑑(H⋯A)	𝑑(D⋯A)	<(DHA)	𝑑(D–H)	𝑑(H⋯A)	𝑑(D⋯A)	<(DHA)
CH8C⋯N4	0.980	2.915	3.496	118.96	0.959	2.664	3.544	152.32
CH8C⋯O2	0.980	2.489	3.237	132.93	—	—	—	—
CH10A⋯O1	0.990	2.660	3.145	110.36	—	—	—	—
CH10B⋯O1	—	—	—	—	0.970	2.671	3.144	110.38
CH10B⋯N3	0.990	2.564	2.713	87.82	0.970	2.770	2.700	75.75
CH10A⋯N3	0.990	2.799	2.713	74.77	0.970	2.554	2.700	88.00
CH8C⋯π (C16–N4)	0.980	2.912	3.607	128.73	0.959	2.851	3.654	141.84