Structures of N-substituted 1,2-oxazines .1. a Monocyclic Derivative, 2-(tert-butylthio)-3-(3,6-dihydro-2h-1,2-oxazin-2-yl)acrylonitrile
(1991) Acta Crystallographica. Section C: Crystal Structure Communications — Vol. 47, p. 827-829 (1991)
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- C11H16N2OS, M(r) = 224.42, monoclinic, C2/c, a = 27.791 (3), b = 9.361 (1), c = 9.606 (1) angstrom, beta = 92.97 (1)-degrees, V = 2495.7 (4) angstrom3, Z = 8, D(x) = 1.19 g cm-3, Cu K-alpha, lambda = 1.5418 angstrom, mu = 20.6 cm-1, F(000) = 960, T = 291 K, R = 0.048 for 1936 observed reflections. The configuration of the substituents on the double bond is Z. The ethylenic moiety is strongly conjugated with the N-O bond. A half-chair conformation with a large puckering around N-O [70.9 (8)-degrees] is observed for the six-membered ring.
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Tinant, B., & Declercq, J.-P. (1991). Structures of N-substituted 1,2-oxazines .1. a Monocyclic Derivative, 2-(tert-butylthio)-3-(3,6-dihydro-2h-1,2-oxazin-2-yl)acrylonitrile. Acta Crystallographica. Section C: Crystal Structure Communications, 47, 827-829. https://doi.org/10.1107/S0108270190009180 (Original work published 1991)