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 | — |
Symmetry transformations used to generate equivalent atoms for 1: (i) , , ; (ii) , , ; (iii) , , ; (iv) x − 1, y + 1, z; (v) , , ; *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.