| Title: |
Crystal structure of 2-chloro-1,3-(2,6-diisopropylphenyl)- 4,5-dihydro-1H-imidazol-3-ium tetrakis- (3,5-trifluoromethylphenyl)borate |
| Authors: |
Stack, Darcie L.; Masuda, Jason Douglas, 1977- |
| Publisher Information: |
International Union of Crystallography |
| Publication Year: |
2016 |
| Collection: |
Saint Mary's University, Halifax: Institutional Repository |
| Subject Terms: |
Crystallography; Carbenes (Methylene compounds); Heterocyclic compounds; Borates |
| Description: |
Publisher's Version/PDF ; The title compound, C [subscript 27] H[subscript 38]ClN[subscript 2] [superscript +][centre dot]C[subscript 32]H[subscript 12]BF[subscript 24][superscript -], was synthesized by reacting the product formed from a previous reaction between 1,3-bis(2,6-diisopropylphenyl) imidazolinium-2-carboxylate (SIPrCO[subscript 2]), and SOCl[subscript 2], with sodium tetrakis[3,5 bis(trifluoromethyl)phenyl]borate (NaBARF). In the cation, the imidazole ring is in a half-chair conformation and the formerly carbene carbon atom is bonded in a distorted trigonal–planar geometry with N—C—Cl angles of 122.96 (16) and 122.21 (16)[degrees symbol] and an N—C—N angle of 114.83 (18)[degrees symbol]. In the crystal, weak C—H.F hydrogen bonds link the cations and anions, forming a three-dimensional network. In addition, a short Cl.F contact of 3.213 [angstrom] and several short F.F contacts less than the sum of the van der Waals radii [1.47 [angstrom] + 1.47 [angstrom]] = 2.94 [angstrom] are observed. The F atoms of two of the CF[subscript 3] groups were refined as disordered over four sets of sites. |
| Document Type: |
text |
| File Description: |
application/pdf |
| Language: |
English |
| Relation: |
https://doi.org/10.1107/S2056989016014584; http://library2.smu.ca/handle/01/27245 |
| Availability: |
http://library2.smu.ca/handle/01/27245 |
| Accession Number: |
edsbas.4014A87 |
| Database: |
BASE |