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. 2019 Mar 26;75(Pt 4):499–505. doi: 10.1107/S2056989019003694

Table 2. Inter­molecular inter­action energies (in kcal mol−1) for different mol­ecular pairs observed in the major component of the title compound; CD is the centroid-to-centroid distance.

Motif CD (Å) Symmetry E Coul E pol E energy-dispersive E rep E tot Possible inter­actions Geometry (Å, °)a
M1 5.163 x + 1, −y, −z + 1 −4.0 −1.4 −12.5 8.3 −9.5 C14—H14⋯Cg1 2.81, 130
M2 4.820 x + 1, −y + 1, −z + 1 −3.1 −1.5 −11.5 7.4 −8.7 C15⋯C15(π–π) 3.274 (4)
M3 5.122 x + Inline graphic, y − Inline graphic, z −1.9 −1.0 −10.0 5.6 −7.3 C3—H3⋯Cg1 2.99, 153
    x + Inline graphic, y + Inline graphic, z           C11—H11⋯Cg2 2.96, 111
M4 6.925 x − Inline graphic, −y + Inline graphic, −z + 1 −4.3 −1.6 −5.2 5.3 −5.9 C8—H8⋯N2 2.34, 156
                C10—H10⋯N2 2.66, 143
M5 11.134 x + 1, y, −z + Inline graphic −1.1 −0.5 −3.2 1.8 −2.8 C13—H13⋯Cl1 2.95, 152
M6 13.104 x + Inline graphic, −y + Inline graphic, z − Inline graphic −0.6 −0.4 −2.8 2.1 −1.6 C4—H4⋯Cl1 2.98, 114

Note: (a) neutron values are given for all D—H⋯A inter­actions.