Table 1.

Van der Waals radii of elements typical for organic compounds.

Atom	Van der Waals radii [Å]					Atom or contact type[a]
	R half			R QM 14	R max
	Bondi6	R.&T.9	Alv.10
H	–	–	–	1.54	1.21	C−H ⋅⋅⋅ X, X≠H
	1.20	–	1.20		1.29	C−H ⋅⋅⋅ H−C
C	1.70	1.75	1.77	1.90	1.87	Csp2
	–	–	–		1.91	Csp3, (C−Me)
N	1.55	1.61	1.66	1.79	1.76	Nsp3 ([R/H]3N)
O	1.52	1.56	1.50	1.71	1.74	Osp3 (ROH/R2O)[b]
	–	–	–		1.65	Osp2 (C=O)[c]
F	1.47	1.44	1.46	1.63	1.55	C−F
S	1.80	1.79	1.89	2.14	1.95	R2S
Cl	1.75	1.74	1.82	2.06	1.91	C−Cl
Se	1.90	–	1.82	2.24	2.04	Z2Se
Br	1.85	1.85	1.86	2.19	2.00	C−Br
I	1.98	2.00	2.04	2.38	2.17	C−I

[a] Atom types used for determination of van der Waals radii in this work. If there are several radii for one element, the first row lists “default” R_vdW for the current element that can be compared with the values from other vdW radii sets. R and Z in formulae stands for C‐bonded and any monovalent substituents, respectively. [b] Water molecules were excluded as D _max of the respective interactions were systematically different from those for ROH/R₂O. [c] Carboxylates and charged atoms were excluded from the datasets as the D _max of the corresponding interactions were systematically different from those for uncharged atoms, which is apparently due to the increased electrostatic contribution.