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.
Ammonium 1,3,4,6-tetranitro-2,5-diazapentalene
✍ Scribed by Butcher, Ray J. ;Bottaro, Jeffrey C. ;Gilardi, R.
- Publisher
- International Union of Crystallography
- Year
- 2003
- Tongue
- English
- Weight
- 253 KB
- Volume
- 59
- Category
- Article
- ISSN
- 1600-5368
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📜 SIMILAR VOLUMES
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.
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.
In the title centrosymmetric molecule, C 16 H 8 F 4 N 2 , the dihedral angle between the pyridine and benzene rings is 50.47 (5) , which is intermediate between those observed when the central ring is benzene and when it is an anthracene. The crystal structure consists of layers of molecules paralle