The title compound, C 13 H 9 ClOS, crystallizes in the orthorhombic system in the non-centrosymmetric space group P2 1 2 1 2 1 , with one molecule in the asymmetric unit. The repulsion between two Cl atoms of neighbouring molecules is minimized by a 2 1 screw arrangement of the asymmetric unit.
S-Phenyl 4-cyanothiobenzoate
✍ Scribed by Ivanova, Bojidarka B. ;Arnaudov, Michail G. ;Sheldrick, William S. ;Mayer-Figge, Heike
- Publisher
- International Union of Crystallography
- Year
- 2005
- Tongue
- English
- Weight
- 177 KB
- Volume
- 62
- Category
- Article
- ISSN
- 1600-5368
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✦ Synopsis
Molecules of the title compound, C 14 H 9 NOS, exhibit a chiral non-planar structure in which the 4-cyanophenyl and S-phenyl rings are tilted at dihedral angles of 1.81 (2) and 72.49 (1) with respect to the central thiocarbonate unit.
📜 SIMILAR VOLUMES
H -Dicyanobiphenyl, C 14 H 8 N 2 , has a normal structure with a twist angle of 31.8 (2) . The molecules stack with overlapping % systems and form chains held together by antiparallel CÐ NÁ Á ÁCÐN interactions. In addition, there are a number of CÐ HÁ Á ÁN interactions.
In the title compound, C 10 H 13 N 3 S, the isopropylidineamine and phenyl groups are trans and cis, respectively, with respect to the thione group across their C-N bonds. The molecule is stablized by intra-and intermolecular hydrogen bonds to form dimers parallel to (010).
In the title compound, C 24 H 20 FNO 3 , the molecule is nonplanar, with dihedral angles of 67.9 (1), 48.2 (1) and 20.3 (1) between the three aromatic rings. The packing is stabilized by C-HÁ Á Á andinteractions.