Hydrogen-bond geometry obtained from structural analysis for BCH and NCH.
| D–H … A | D–H (Å) | H … A (Å) | D … A (Å) | D–H … A (°) | Symmetry code | |
|---|---|---|---|---|---|---|
| BCH | C3–H3…Br | 0.95(1) | 2.92(3) | 3.867(2) | 173(4) | −2 + x, 1 + y, 1 + z |
| C4–H4…O1 | 0.95(1) | 2.54(5) | 3.166(3) | 123(6) | −1 + x,y,z | |
| C13–H13…O1 | 0.95(1) | 2.703(4) | 3.494(3) | 141(5) | 1 − x, 2 − y, 1 − z | |
| NCH | C5–H5…O4 | 0.95(1) | 2.62(5) | 3.363(1) | 134(4) | 1 − x, 1 − y,1 − z |
| C22–H22…O2 | 0.95(1) | 2.56(6) | 3.456(16) | 157(6) | 1 − x, 2 − y, 1 − z | |
| C22–H22…O1 | 0.95(1) | 2.64(4) | 3.254(2) | 122(6) | 1 − x, 2 − y, 1 − z | |
| C13–H13…O1 | 0.95(1) | 2.63(3) | 3.463(2) | 145(4) | −x, 2 − y, 1 − z | |
| C2–H2…O5 | 0.95(1) | 2.47(4) | 3.2077(16) | 135(3) | −5/2 + x,3/2 − y,1/2 + z |