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1,3,5-Tricyclopropyl-1,3,5-triazinane

✍ Scribed by Poethig, Alexander (author);Ahrens, Sebastian (author);Strassner, Thomas (author)

Book ID
104490512
Publisher
International Union of Crystallography
Year
2007
Tongue
English
Weight
493 KB
Volume
63
Category
Article
ISSN
1600-5368

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✦ Synopsis

The structure of the title compound, C 12 H 21 N 3 , shows the most common conformation for free triazacyclohexanes, with one axial and two equatorial substituents at the nitrogen atoms. The N atoms show a distinctly pyramidal geometry, the N-C(cyclopropyl) bonds being inclined at 127.4 (2), 120.92 (19) and 121.32 (18) to the CH 2 -N-CH 2 plane. The biggest outof-plane angle is found at the cyclopropane substituent in the axial position. The exocyclic C-N bonds at the equatorial sites are slightly longer than the one at the axial site. The C-C bond lengths in the cyclopropane rings range from 1.493 (3) to 1.503 (3) A ˚.

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Single-crystal X-ray study T = 292 K Mean (C-C) = 0.006 A Disorder in solvent or counterion R factor = 0.049 wR factor = 0.112 Data-to-parameter ratio = 11.3 For details of how these key indicators were automatically derived from the article, see http://journals.iucr.org/e.