Molecular distortions in crystalline 2-phenylethynylbenzoic acid |
| |
| Authors: | Lee D Hall Guy Orpen Melanie Pilkington and John D Wallis |
| |
| Institution: | (1) School of Chemistry, University of Bristol, Bristol, BS8 1TS, United Kingdom;(2) Department of Chemistry and Physics, The Nottingham Trent University, Clifton Lane, Nottingham, NG11 8NS, United Kingdom |
| |
| Abstract: | 2-Phenylethynylbenzoic acid shows a short intramolecular 1,5 C=O···spC contact with no significant in-plane distortion of bonding geometry at the sp C atom. However, there are angular distortions at the second sp C atom and the adjacent ipso C atom of the benzene ring, most likely because of optimization of the packing arrangement. Crystal data: C15H10O2, Mr = 222.23, a = 6.1890(10), b = 9.791(2), c = 18.849(4) Å,  = 97.14(2)°, monoclinic, P21/n, Z = 4. |
| |
| Keywords: | Intramolecular interactions alkyne angular distortion |
| 本文献已被 SpringerLink 等数据库收录！ |
|
