. Author manuscript; available in PMC: 2014 Nov 4.

Published in final edited form as: ACS Chem Biol. 2014 Feb 26;9(4):880–883. doi: 10.1021/cb500022u

Table 1.

Conformational parameters of N-acyl homoserine lactones used in this work.

N-Acyl group	φ (°)^a	ψ (°)^a	d (Å)^a	θ (°)^a	Θ (°)^a	Δ (Å)^a	E_n_→_π_* (kcal/mol)^b
N-trimethylacetyl	51.51(18)	−144.65(15)	2.732(2)	90.62(12)	2.7(2)	0.023(2)	0.64
N-tribromoacetyl	48.50(30)	−148.20(30)	2.801(4)	88.00(20)	1.6(5)	0.014(4)	0.55

From X-ray diffraction analysis of the crystalline compound. Structural parameters are defined in Figures 1 and 2.

From second-order perturbation theory.