2,3-Dichlorophenyl benzoate
✍ Scribed by Gowda, B. Thimme ;Foro, Sabine ;Babitha, K. S. ;Fuess, Hartmut
- Book ID
- 104491880
- Publisher
- International Union of Crystallography
- Year
- 2007
- Tongue
- English
- Weight
- 422 KB
- Volume
- 63
- Category
- Article
- ISSN
- 1600-5368
No coin nor oath required. For personal study only.
✦ Synopsis
The structure of the title compound (23DCPBA), C~13~H~8~Cl~2~O~2~, resembles that of phenyl benzoate (PBA), 2,6-dichlorophenyl benzoate (26DCPBA) and 3,4-dichlorophenyl benzoate (34DCPBA), with similar geometric parameters. The dihedral angle between the phenyl and benzoyl rings in 23DCPBA is 50.16 (7)°, compared to the value of 55.7° for PBA, 75.75 (10)° for 26DCPBA and 53.77 (5)° for 34DCPBA.
📜 SIMILAR VOLUMES
## Experimental A freshly distilled solution of pivaloyl chloride (1.20 g, 10 mmol) in acetone (50 ml) was added dropwise to a suspension of potassium thiocyanate (0.97 g, 10 mmol) in acetone (30 ml) and the reaction mixture was refluxed for 30 min. After cooling to room temperature, a solution of
In the crystal structure of the title compound, C 12 H 10 Cl 2 N 2 O 2 S, there are two independent molecules in the asymmetric unit. Hydrogen bonds between NH 2 and SO 2 groups link molecules into layers, which interact with each other only by van der Waals forces
The conformation of the N-H bond in the title compound, C 8 H 5 Cl 4 NO, is syn to the 2-chloro substituent in the aromatic ring, similar to that of the 2-chloro substituent in 2,2-dichloro-N-(2-chlorophenyl)acetamide, the 3-chloro substituent in 2,2dichloro-N-(3,4-dichlorophenyl)acetamide and the 2