J. G. Garcia, J. Enas, H. VanBrocklin
Feb 15, 1995
Citations
2
Influential Citations
2
Citations
Journal
Acta Crystallographica Section C-crystal Structure Communications
Abstract
There are two independent molecules in the asymmetric unit of 5-fluoro-1-indanone (1), C 9 H 7 FO. The cyclopentene ring is planar in one of the molecules and slightly distorted into an envelope conformation in the other, with the CH 2 group adjacent to the carbonyl group lying 0.033 (2) A out of the best plane of the other four atoms. The maximum deviation from coplanarity of all the non-H atoms of (1) is 0.038 (2) A for one molecule and 0.019 (2) A for the other. The two molecules are nearly parallel in the crystal, their best planes forming a dihedral angle of 4.1 (3)°. 2,2-Dimethyl-5-fluoro-1-indanone (2), C 11 H 11 FO, lies on a mirror plane in the crystal. Molecules of both (1) and (2) pack in hypercentric arrays. The C−F distances are 1.354 (2) and 1.360 (3) A for (1) and 1.355 (2) A for (2). The C=O distances are 1.218 (2) and 1.212 (3) A for (1) and 1.220 (2) A for (2)