Acta Crystallographica Section B

Structural Science

Volume 68, Part 5 (October 2012)


research papers



Acta Cryst. (2012). B68, 536-542    [ doi:10.1107/S0108768112037457 ]

Four polymorphs (polytypes) of 5,6-dimethylbenzofurazan 1-oxide

D. Britton, V. G. Young Jr, W. E. Noland, M. J. Pinnow and C. M. Clark

Abstract: 5,6-Dimethylbenzofurazan 1-oxide (Me2BF), C8H8N2O2, occurs in four polymorphic forms that are polytypes of each other. Each polymorph of Me2BF contains molecules disordered about pseudo-twofold axes and arranged head-to-tail in ribbons, with the ribbons forming approximately planar layers held together by weak C-H...N and C-H...O interactions. Adjacent layers interact in different ways in the different polymorphs. In addition to twinning in the individual polymorphs, four examples of allotwining, that is, oriented overgrowths between different polymorphs, were found.

Keywords: polymorphism; allotwinning; disorder.


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Structure factor file (CIF format) (84.4 kbytes)
[ doi:10.1107/S0108768112037457/ps5015Z2sup2.hkl ]
Contains datablock fin


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Structure factor file (CIF format) (171.5 kbytes)
[ doi:10.1107/S0108768112037457/ps5015Z4sup3.hkl ]
Contains datablock Z4


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Structure factor file (CIF format) (252.5 kbytes)
[ doi:10.1107/S0108768112037457/ps5015Z6sup4.hkl ]
Contains datablock Z6


hkldisplay filedownload file

Structure factor file (CIF format) (426.6 kbytes)
[ doi:10.1107/S0108768112037457/ps5015Z10sup5.hkl ]
Contains datablock fin


hkldisplay filedownload file

Structure factor file (CIF format) (91.5 kbytes)
[ doi:10.1107/S0108768112037457/ps5015Me2PAsup6.hkl ]
Contains datablock Me2PA


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