Table 11.

Aromatic ring C-C bond lengths (Å) and HOMA index for the studied molecules (in the crystals and as isolated molecules) ^a.

	Crystal
	BA	2FBA	2CBA	26DFBA	26DCBA	26DCBA	2C6FBA
					Mol. 1	Mol. 2
	1.384	1.401	1.406	1.398	1.388	1.389	1.396
	1.377	1.391	1.385	1.381	1.386	1.381	1.382
	1.380	1.397	1.387	1.387	1.382	1.380	1.377
	1.366	1.394	1.362	1.389	1.378	1.375	1.377
	1.383	1.392	1.408	1.381	1.382	1.387	1.367
	1.386	1.416	1.366	1.396	1.387	1.387	1.389
HOMA:	0.969	0.953	0.919	0.989	0.992	0.988	0.966
					Average:	0.990
	Isolated Molecule
	BA	2FBA	2CBA	26DFBA	26DCBA		2C6FBA
	1.400	1.402	1.407	1.398	1.397		1.399
	1.390	1.388	1.394	1.385	1.391		1.392
	1.396	1.391	1.390	1.392	1.391		1.392
	1.395	1.395	1.393	1.392	1.391		1.392
	1.392	1.388	1.388	1.385	1.391		1.384
	1.400	1.405	1.405	1.397	1.397		1.393
HOMA:	0.982	0.977	0.969	0.990	0.991		0.991

^a C-C bond lengths are presented starting from that connecting the ring carbon atom where the carboxylic acid substituent is bound to the ortho carbon atom staying closest to the carbonyl oxygen atom and rotating through the ring. Experimental data for the crystals was taken from Refs. [20,21,22,23,24,30]. Calculated data are from this study and for both 2FBA and 2CBA correspond to the geometrical parameters of the cis-I conformer.