2-Nitro-3,5,5-trimethylcyclopentanone.

The title compd. is orthorhombic, space group P212121, with a 8.164(1), b 17.119(3), and c 6.825(1) .ANG.; d.(calcd.) = d.(exptl.) = 1.19 for Z = 4. Structure detn. employed MULTAN/NQEST; final residuals are: Robsd = 0.049, Rw = 0.078. The ring is a highly twisted C1 half-chair; the nitro group is a...

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Journal Title: Acta Crystallographica, Section B: Structural Crystallography and Crystal Chemistry Vol. B33; no. 6; pp. 1962 - 1965
Authors: Walter W. Zajac, Fadia E. Elfehail, John P. Hazel, George T. De Titta
Format: Article
Published: 1977
Application Date: Dep. Chem.,Villanova Univ.,Villanova,PA,USA.
Subjects:
mol
Summary: The title compd. is orthorhombic, space group P212121, with a 8.164(1), b 17.119(3), and c 6.825(1) .ANG.; d.(calcd.) = d.(exptl.) = 1.19 for Z = 4. Structure detn. employed MULTAN/NQEST; final residuals are: Robsd = 0.049, Rw = 0.078. The ring is a highly twisted C1 half-chair; the nitro group is approx. perpendicular to the cyclopentane ring; the 2-nitro and 3-Me substituents are trans with respect to one another.
ISSN: 0567-7408