Hydrogen-bond geometry (Å, °) and selected interatomic distances (Å) in compound (4).
| Hydrogen-bond | ||||
|---|---|---|---|---|
| Cg2 is the centroid of the B (C11–C16) ring | ||||
| D–H⋯A | D–H | H⋯A | D⋯A | D–H⋯A |
| N1–H1⋯S1ii | 0.88 | 2.53 | 3.3945 (19) | 168 |
| N2–H2⋯O1 | 0.88 | 1.98 | 2.687 (2) | 137 |
| C8–H8⋯O2iv | 0.95 | 2.39 | 3.290 (3) | 159 |
| C10–H10C⋯Cg2vi | 0.98 | 2.88 | 3.659 (3) | 139 |
| Symmetry codes: (ii) −x + 1, −y + 1, −z + 1; (iv) x − 1/2, −y + 3/2, z − 1/2; (vi) −x + 3/2, y + 1/2, −z + 1/2 | ||||
| Interatomic distances | ||||
| Cl1⋯N1 | 3.3576 (19) | O1⋯C10iv | 3.222 (3) | |
| H5⋯Cl1i | 2.98 | O1⋯H2 | 1.99 | |
| S1⋯C4 | 3.206 (3) | O2⋯H5 | 2.44 | |
| S1⋯C11ii | 3.501 (2) | H8⋯O2iv | 2.40 | |
| S1⋯C12ii | 3.295 (2) | C6⋯C4v | 3.405 (3) | |
| S1⋯H4 | 2.81 | C1⋯H2 | 2.46 | |
| S1⋯H1ii | 2.53 | C2⋯H4 | 2.89 | |
| H13⋯S1iii | 2.94 | C7⋯H10B | 2.83 | |
| H15⋯S1iv | 2.95 | C10⋯H7 | 2.66 | |
| O1⋯N2 | 2.688 (2) | H10C⋯C14vi | 2.85 | |
| O1⋯C6iv | 3.221 (3) | H7⋯H10B | 2.32 | |
| Symmetry codes: (i) x + 1/2, −y + 1/2, z + 1/2; (ii) −x + 1, −y + 1, −z + 1; (iii) x − 1/2, −y + 1/2, z − 1/2; (iv) x − 1/2, −y + 3/2, z − 1/2; (v) −x + 2, −y + 1, −z + 1; (vi) −x + 3/2, y + 1/2, −z + 1/2 | ||||