Structure determination of three furan-substituted benzimidazoles and calculation of π–π and C—H⋯π inter­action energies

Geiger, D.K.; Geiger, H.C.; Deck, J.M.

doi:10.1107/S205322961402405X

Acta Crystallographica Section C
Acta Crystallographica
Section C STRUCTURAL CHEMISTRY

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Figure 2
Partial packing diagram for (I)

, showing the chains running parallel to the c axis, resulting in two types of head-to-tail stacking, denoted types (Ia) and (Ib) (see text). Only the major contributor to the disorder model and H atoms involved in C—H⋯π interactions are shown. [Symmetry codes: (i) −x + 1, −y, −z + 1; (ii) x, y, z + 1; (iii) −x + 1, −y, −z; (iv) x + $[{1\over 2}]$ , −y + $[{1\over 2}]$ , z + $[{1\over 2}]$ ; (v) −x + $[{3\over 2}]$ , y + $[{1\over 2}]$ , −z + $[{1\over 2}]$ ; (vi) −x + $[{3\over 2}]$ , y + $[{1\over 2}]$ , −z + $[{3\over 2}]$ .]

STRUCTURAL
CHEMISTRY

ISSN: 2053-2296

Volume 70| Part 12| November 2014| Pages 1125-1132

doi:10.1107/S205322961402405X

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