Figure 4
Two adjacent molecules of a stack with the O⋯H contacts detailed. The discrepancy in the H2a⋯O bonds is caused by the molecules in the stacks being slightly tilted as evidenced by S1 and S3 not having the same x coordinate: 0.568 vs 0.546 (even though the molecules are related by a translation along a). This leads to a difference in the S1⋯S3i and S3⋯S1i distances, for example, of 5.646 vs 5.898 Å. The longer S⋯S distance is associated with the longer H2a⋯O distance. |