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. 2026 May 15;82(Pt 6):645–650. doi: 10.1107/S2056989026004810

Table 2. Hydrogen-bond geometry (Å, °).

D—H⋯A D—H H⋯A D⋯A D—H⋯A Mulliken overlap H-bond energy
N6—H37⋯O4 1.043 1.807 2.781 153.7 0.063 5.8
N6—H36⋯Cl38 1.054 2.070 3.094 163.2 0.088  
N6—H35⋯Cl38 1.047 2.181 3.159 154.6 0.077  
O1—H26⋯Cl38 0.993 2.159 3.146 172.1 0.064 35.6
N5—H23⋯Cl38 1.025 2.545 3.465 149.0 0.036  
C16—H28⋯Cl38 1.099 2.485 3.422 142.4 0.032  
C11—H22⋯O1 1.090 2.443 2.825 98.9 0.017  
C13—H24⋯O3 1.089 2.656 3.592 143.7 0.012  
C17—H31⋯O3 1.100 2.642 3.637 150.3 0.010