Hydrogen-bond geometry (Å, °) of C1, C2 and C3a.
D–H⋯A | D–H | H⋯A | D⋯A | D–H⋯A | Symmetry codes |
---|---|---|---|---|---|
C1 | |||||
N1–H1A⋯Cl2 | 0.91 | 2.57 | 3.469(3) | 169 | x − 1/2, −y + 3/2, z − 1/2 |
N1–H1B⋯Cl1 | 0.91 | 2.52 | 3.259(3) | 139 | x, y, z |
N2–H2A⋯Cl2 | 0.91 | 2.61 | 3.280(3) | 131 | x, y, z − 1 |
N4–H4A⋯N5 | 0.91 | 2.06 | 2.954(4) | 168 | x, y, z |
N5–H5A⋯Cl2 | 0.91 | 2.59 | 3.318(3) | 137 | x, y, z |
N5–H5B⋯Cl1 | 0.91 | 2.59 | 3.473(3) | 165 | x + 1/2, −y + 3/2, z + 1/2 |
N6–H6A⋯O2 | 0.91 | 2.29 | 3.186(4) | 170 | x, −y + 1, z + 1/2 |
N8–H8A⋯N1 | 0.91 | 2.04 | 2.937(4) | 171 | x, y, z |
C10–H10⋯Cl1 | 0.95 | 2.74 | 3.617(3) | 154 | x + 1/2, −y + 3/2, z − 1/2 |
C4–H4⋯Cg2 | 0.95 | 2.89 | 3.587(4) | 131 | x, y, z − 1 |
C22–H22⋯Cg5 | 0.95 | 2.82 | 3.6939(3) | 144 | x, −y + 1, z + 1/2 |
C2 | |||||
N1–H1A⋯O2 | 0.91 | 2.17 | 3.062(3) | 166 | −x + 1, −y + 2, −z + 1 |
N1–H1B⋯O3 | 0.91 | 2.12 | 3.028(6) | 173 | x − 1, y, z |
N2–H2A⋯O2 | 0.91 | 1.96 | 2.857(2) | 167 | x, y, z |
N4–H4A⋯N1 | 0.91 | 2.05 | 2.958(2) | 173 | −x + 1, −y + 1, −z + 1 |
C5–H5⋯O4 | 0.94 | 2.54 | 3.431(8) | 158 | −x + 1, −y + 2, −z + 2 |
C10–H10⋯O4 | 0.94 | 2.39 | 3.329(4) | 173 | −x + 2, −y + 2, −z + 1 |
C12–H12B⋯O3 | 0.97 | 2.46 | 3.388(6) | 161 | −x + 2, −y + 1, −z + 1 |
O5–H5A⋯O2 | 0.87 | 2.17 | 2.898(2) | 141 | x, y − 1, z |
O5–H5A⋯O4 | 0.87 | 2.45 | 3.262(5) | 156 | x, y − 1, z |
C3 | |||||
O3–H3A⋯N1 | 0.87 | 2.00 | 2.855(4) | 168 | −x + 1, −y + 1, −z + 1 |
O3–H3B⋯O10 | 0.87 | 1.89 | 2.708(11) | 157 | x, y, z |
O3–H3B⋯N10 | 0.87 | 2.52 | 3.381(17) | 173 | x, y, z |
O4–H4A⋯O12 | 0.87 | 1.80 | 2.638(5) | 162 | x, y, z |
O4–H4B⋯N5 | 0.87 | 1.99 | 2.856(4) | 174 | −x + 1, −y + 1, −z |
N2–H2A⋯O7 | 0.91 | 1.91 | 2.805(4) | 166 | x, y + 1, z |
N3–H3C⋯O11 | 0.91 | 2.02 | 2.917(4) | 169 | x, y − 1, z |
N6–H6A⋯O11 | 0.91 | 1.94 | 2.845(4) | 173 | x, y − 1, z |
N7–H7C⋯O7 | 0.91 | 1.98 | 2.885(4) | 176 | x, y + 1, z |
C14–H14⋯O5 | 0.95 | 2.54 | 3.400(5) | 175 | x + 1, y, z |
C24–H24A⋯O9 | 0.98 | 2.49 | 3.47(3) | 173 | −x + 1, −y + 2, −z |
O11–H11A⋯O6 | 0.87 | 2.05 | 2.853(4) | 153 | x + 1, y + 1, z |
O11–H11B⋯O9 | 0.87 | 1.76 | 2.61(2) | 167 | x, y, z |
O12–H12D⋯O5 | 0.87 | 1.96 | 2.814(6) | 168 | x, y, z |
O12–H12D⋯N9 | 0.87 | 2.57 | 3.359(6) | 151 | x, y, z |
O12–H12E⋯O9 | 0.87 | 2.01 | 2.87(14) | 170 | x, y − 1, z |
C1: Cg2 and Cg5 are, respectively, the centroids of the N7/N8/C32/C22/C21 and C1⋯C6 rings.