The redetermined structure of the title compound, C12H12N2S, was refined from low-temperature (100 K) single-crystal X-ray diffraction data. Although achiral, the compound crystallizes in Sohncke space groupP212121in a chiral conformation distorted from idealizedC2symmetry and the dihedral angle between the phenyl groups is 72.01 (7)°. In the extended structure, the NH2substituents participate in N—H...S, N—H...N, and N—H...π interactions, leading to a three-dimensional hydrogen-bonded array. These results highlight the role of sulfur bridges in tuning packing interactions relevant to polymer design.
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Comparison of the Photochemistry of Acyclic and Cyclic 4-(4-Methoxy-phenyl)-4-oxo-but-2-enoate Ester Derivatives
- PAR ID:
- 10198323
- Date Published:
- Journal Name:
- The Journal of Physical Chemistry A
- Volume:
- 124
- Issue:
- 37
- ISSN:
- 1089-5639
- Page Range / eLocation ID:
- 7346 to 7354
- Format(s):
- Medium: X
- Sponsoring Org:
- National Science Foundation
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