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. 2023 Apr 6;13(16):10914–10922. doi: 10.1039/d3ra00750b

Hydrogen-bonding distances and angles for the Phl–Inz cocrystala.

Hydrogen bond H⋯A (Å) D⋯A (Å) ∠D– H⋯A (°)
O1–H1⋯N1 1.91 2.736(4) 169.9
O1–H1⋯N2 2.73 3.418(4) 140.8
O3–H3⋯O2 1.76 2.504(3) 147.1
O4–H4⋯N31 1.94 2.750(4) 160.8
O5–H5⋯O12 1.87 2.677(3) 159.8
C6–H6⋯O52 2.88 3.474(4) 121.5
C12–H12⋯N31 2.80 3.456(5) 127.3
O6–H6A⋯N4 1.92 2.751(4) 168.0
O6–H6A⋯N5 2.78 3.492(4) 143.5
O8–H8⋯O7 1.76 2.505(3) 147.3
O9–H9⋯N61 1.95 2.753(4) 159.9
O10–H10⋯O63 1.85 2.664(3) 163.3
C27–H27⋯N61 2.77 3.431(4) 127.7
N1–H1A⋯O24 2.21 2.986(4) 146.8
N2–H2A⋯O84 2.77 3.330(4) 122.8
N2–H2A⋯O125 1.98 2.784(4) 151.9
C33–H33⋯O84 2.47 3.406(4) 169.9
N4–H4A⋯O76 2.29 2.961(4) 132.1
N4–H4B⋯O17 2.47 3.250(4) 151.6
N5–H5B⋯O34 2.70 3.270(4) 123.3
N5–H5B⋯O11 1.99 2.773(4) 148.3
C39–H39⋯O34 2.46 3.402(4) 169.5
a

Symmetry codes: 11 + X, +Y, 1 + Z; 22 − X, 1 − Y, 1 − Z; 31 − X, 1 − Y, 1 − Z; 41 − X, −Y, 1 − Z; 51 + X, +Y, +Z; 6X, −Y, 1 − Z; 7–1 + X, +Y, +Z.