Acta Crystallographica Section C

Crystal Structure Communications

Volume 69, Part 5 (May 2013)


organic compounds



yf3029 scheme

Acta Cryst. (2013). C69, 544-548    [ doi:10.1107/S0108270113009098 ]

A chain of [pi]-stacked molecules in 4-(2-chlorophenyl)pyrrolo[1,2-a]quinoxaline and a hydrogen-bonded sheet in (4RS)-4-(1,3-1,3-benzodioxol-6-yl)-4,5-dihydropyrrolo[1,2-a]quinoxaline

J. C. Castillo, R. Abonía, J. Cobo and C. Glidewell

Abstract: In the molecule of 4-(2-chlorophenyl)pyrrolo[1,2-a]quinoxaline, C17H11ClN2, (I), the bond lengths are consistent with electron delocalization in the two outer rings of the fused tricyclic system, with a localized double bond in the central ring. The molecules of (I) are linked into chains by a [pi]-[pi] stacking interaction. In (4RS)-4-(1,3-benzodioxol-6-yl)-4,5-dihydropyrrolo[1,2-a]quinoxaline, C18H14N2O2, (II), the central ring of the fused tricyclic system adopts a conformation intermediate between screw-boat and half-chair forms. A combination of N-H...O and C-H...[pi](arene) hydrogen bonds links the molecules of (II) into a sheet. Comparisons are made with related compounds.

Formula: C17H11ClN2 and C18H14N2O2


hkldisplay filedownload file

Structure factor file (CIF format) (146.5 kbytes)
[ doi:10.1107/S0108270113009098/yf3029Isup2.hkl ]
Contains datablock I


hkldisplay filedownload file

Structure factor file (CIF format) (158.3 kbytes)
[ doi:10.1107/S0108270113009098/yf3029IIsup3.hkl ]
Contains datablock II


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