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. 2021 Feb 22;11(14):8178–8197. doi: 10.1039/d0ra10539b

Hydrogen bond and intermolecular interaction geometries (Å, °) for compound 1a.

1
D–H⋯A D–H H⋯A D⋯A ∠D–H⋯A
N00I–H00I⋯Cl1Ai 0.860 2.20 3.03 (1) 163.0
N00D–H00D⋯Cl1Ai 0.860 2.32 3.12 (1) 154.7
N00H–H00H⋯Cl0Ai 0.860 2.210 3.053 (9) 166.7
N00H–H00H⋯Cl06i 0.860 2.205 3.057 (3) 170.7
N00J–H00J⋯Cl1 0.860 2.654 3.161 (4) 119.0
N00J–H00J⋯Cl01 0.860 2.114 2.948 (4) 163.3
N00J–H00J⋯Cl3 0.860 2.295 3.037 (4) 144.5
N00E–H00E⋯Cl1 0.860 2.443 3.194 (4) 146.2
N00G–H00G⋯Cl1 0.860 2.085 2.912 (4) 161.1
N00K–H00K⋯Cl1Aii 0.860 2.59 3.22 (1) 131.2
N00K–H00K⋯Cl2Aii 0.860 2.30 3.11 (1) 156.1
N00K–H00K⋯Cl05ii 0.860 2.346 3.153 (2) 156.4
N00F–H00F⋯Cl2 0.860 2.036 2.880 (4) 166.7
N00F–H00F⋯Cl4 0.860 2.216 3.057 (5) 165.8
C00L–H00L⋯Cl01iii 0.950 2.793 3.482 (5) 130.2
C00N–H00N⋯Cl05iv 0.950 2.80 3.52 (1) 133.3
C01D–H01D⋯Cl07v 0.950 2.498 3.357 (5) 150.2
C01D–H01D⋯Cl08v 0.950 2.78 3.49 (1) 131.9
C01F–H01F⋯Cl10ii 0.950 2.566 3.38 (1) 144.0
C01F⋯C01Dv 3.253 (6)
C01E–H01E⋯π* 2.892 140.87
C01A–H01A⋯π* 2.929 125.2
C015–H015⋯π* 3.184 131.80
C015–H015⋯π* 3.224 138.1
C016–H016⋯π* 3.215 130.59
C016–H016⋯π* 3.267 121.61
π⋯π* 3.585
π⋯π* 3.619
a

Symmetry transformations used to generate equivalent atoms for 1: (i) Inline graphic, Inline graphic, Inline graphic; (ii) Inline graphic, Inline graphic, Inline graphic; (iii) Inline graphic, Inline graphic, Inline graphic; (iv) x − 1, y + 1, z; (v) Inline graphic, Inline graphic, Inline graphic; *for π⋯π interactions d(D⋯A) = Cg⋯Cg and for C–H⋯π interactions d(H⋯A) = H⋯Cg, where Cg = centroid of the aromatic pyridine rings.