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1-Nitro-7,8-di­aza­pentalene

✍ Scribed by Butcher, Ray J. ;Bottaro, Jeffrey C. ;Gilardi, R.


Publisher
International Union of Crystallography
Year
2003
Tongue
English
Weight
332 KB
Volume
59
Category
Article
ISSN
1600-5368

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In this molecule, while the 7,8-diazapentalene skeleton is planar, the nitro groups are twisted with respect to and deviate from this plane. The metrical parameters of the monosubstituted and disubstituted ®ve-membered rings differ.

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Single-crystal X-ray study T = 93 K Mean '(C±C) = 0.002 A Ê R factor = 0.024 wR factor = 0.063 Data-to-parameter ratio = 12.9 For details of how these key indicators were automatically derived from the article, see http://journals.iucr.org/e.

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Single-crystal X-ray study T = 293 K Mean '(C±C) = 0.002 A Ê R factor = 0.040 wR factor = 0.113 Data-to-parameter ratio = 12.0 For details of how these key indicators were automatically derived from the article, see http://journals.iucr.org/e.

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Single-crystal X-ray study T = 293 K Mean '(C±C) = 0.002 A Ê Disorder in main residue R factor = 0.056 wR factor = 0.147 Data-to-parameter ratio = 12.9 For details of how these key indicators were automatically derived from the article, see http://journals.iucr.org/e.