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. 2023 Jan 11;79(Pt 2):26–35. doi: 10.1107/S2053229622011536

Table 2. Surface map values for the σ-holes of 3Ch .

Entry Compound C(benzim)—Ch1 a C(benzim)—Ch2 a CH3—Ch1 a CH3—Ch2 a C(core)—H b Maximum
1 3Te 152.4 153.3 147.8 147.2 145.2
2 3Se 146.6 144.7 145.9 145.6 146.9 c 147.9
3 3S 141.0 144.2 144.5 144.9 c 146.6 c 149.1

Notes: (a) surface map values in kcal mol−1 in the elongation of the respective bonds, (b) the H atom at the 2-position of the central benzene core and (c) approximate values due to the unclear definition of the σ-holes.