In the structure of the title compound, Na + ÁC 6 H 4 Br-ClNO 2 S À Á1.5H 2 O, which crystallizes with two cations, two anions and three water molecules in the asymmetric unit, the sodium ions show octahedral coordination by three O atoms of water molecules and by three sulfonyl O atoms of three dif
Sodium N-bromo-2,4-dichlorobenzenesulfonamidate sesquihydrate
✍ Scribed by Gowda, B. Thimme ;Tokarčík, Miroslav ;Kožíšek, Jozef ;Fuess, Hartmut
- Book ID
- 104491432
- Publisher
- International Union of Crystallography
- Year
- 2007
- Tongue
- English
- Weight
- 553 KB
- Volume
- 63
- Category
- Article
- ISSN
- 1600-5368
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✦ Synopsis
The title compound [systematic name: 2 -aqua-diaquabis-( 3 -N-bromo-2,4-dichlorobenzenesulfonamidato)disodium(I)], Na + ÁC 6 H 3 BrCl 2 NO 2 S À Á1.5H 2 O, crystallizes with two sodium cations, two N-bromo-2,4-dichlorobenzenesulfonamidate anions and three water molecules in the asymmetric unit, similar to sodium N-bromobenzenesulfonamidate, sodium Nbromo-4-chlorobenzenesulfonamidate and sodium N-bromo-2methyl-4-chlorobenzenesulfonamidate. A crystallographic twofold rotation axis passes through one of the water molecules. There is no interaction between the nitrogen atoms and sodium ions. The sodium ion shows octahedral coordination by three O atoms of water molecules and by three sulfonyl O atoms of three different N-bromo-2,4-dichlorobenzenesulfonamidate anions. The S-N distance of 1.590 (6) A ˚is consistent with an S N double bond. The Na + ion coordination in the structure gives rise to several hydrogen bonds between water molecules and N or Br atoms.
📜 SIMILAR VOLUMES
In the title compound, C~23~H~20~Cl~2~N~2~O~4~·1.5H~2~O, the vanillin group makes dihedral angles of 0.52 (14) and 81.22 (7)° with the benzohydrazide residue and the dichlorobenzene ring, respectively. An intramolecular N—H...O hydrogen bond helps to stabilize the molecular conformation, while inter