Crystal structure of l-leucine nitrate

S. Asath Bahadur, R. K. Rajaram, M. Nethaji and S. Natarajan


l-leucine nitrate, C6H14NO2+ · NO3, M = 194.187, triclinic, P1, a = 5.662(6), b = 8.445(4), c = 10.867(6) Å, α = 75.79(4), β = 95.45(6), γ = 99.82(6)°, V = 495.57 Å3, Dm = 1.307 gm/cc (flotation), Dc = 1.301 gm/cc, Z = 2, μ = 1.06 cm−1, λ (MoKα) = 0.71073 Å, F(000) = 208, T = 293 K.

The structure was solved by direct, Fourier and difference Fourier methods, refined to R = 0.045 and wR = 0.050 for 1934 observed reflections with intensity greater than 3σ(I). Since the structure has a pseudo 21-axis parallel to the a-axis, all the hydrogen atoms were located by geometric consideration and fixed at their calculated positions. The pseudo-symmetry is present even at the final stage of refinement. All available hydrogen atoms are involved in hydrogen bonding.

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Zeitschrift für Kristallographie – Crystalline Materials offers a place for researchers to present results of their crystallographic studies. The journal includes theoretical as well as experimental research. It publishes Original Papers, Letters and Review Articles in manifold areas of crystallography.