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. 2021 Apr 29;7(4):e06593. doi: 10.1016/j.heliyon.2021.e06593

Table 3.

Atom-pair distances and angles of H-bond framework from HFS analysis.

S.No. H-bond framework H-bond length (Å) Angle (o) of H-bond framework
1 N7…H25–O14 1.846 154.8
2 N3…H18–N10 2.092 165.5
3 N10–H18…N3 2.092 165.5
4 N10–H17…O14 2.198 154.1
5 C12–O14…H17 2.198 139.0
6 N7…H16–C8 2.418 145.7
7 C12–O14…H16 2.516 145.3
8 N1…H19–C11 2.567 152.2
9 C12–O14…H21 2.603 154.1

Van der Waals radii summation of H (1.17) and O (1.40)→2.57 Å & H (1.17) and N (1.50)→2.67 Å [38].