Substituent effects in nitro derivatives of carbazoles investigated by comparison of low-temperature crystallographic studies with density functional theory (DFT) calculations

Gajda, K.; Zarychta, B.; Kopka, K.; Daszkiewicz, Z.; Ejsmont, K.

doi:10.1107/S2053229614020634

Acta Crystallographica Section C
Acta Crystallographica
Section C STRUCTURAL CHEMISTRY

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Figure 2
Packing diagrams for (a) (II)

and (b) (III)

. Dashed lines indicate intramolecular N9—H9⋯O11ⁱⁱ [in (II)] and C3—H3⋯O12ⁱⁱⁱ [in (III)] hydrogen bonds. [Symmetry codes: (ii) −x + 1, −y + 1, −z; (iii) x − $[{1\over 2}]$ , y, −z + $[{3\over 2}]$ .]

STRUCTURAL
CHEMISTRY

ISSN: 2053-2296

Volume 70| Part 10| September 2014| Pages 987-991

doi:10.1107/S2053229614020634

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