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Crystal structure of l -leucine nitrate

Crystal structure of l -leucine nitrate Abstract l -leucine nitrate, C 6 H 14 NO 2 + · NO 3 − , M = 194.187, triclinic, P 1, 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 Å 3 , D m = 1.307 gm/cc (flotation), D c = 1.301 gm/cc, Z = 2, μ = 1.06 cm −1 , λ (MoK α ) = 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 3 σ ( I ). Since the structure has a pseudo 2 1 -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. http://www.deepdyve.com/assets/images/DeepDyve-Logo-lg.png Zeitschrift für Kristallographie - Crystalline Materials de Gruyter

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Publisher
de Gruyter
Copyright
Copyright © 1993 by the
ISSN
2194-4946
eISSN
2196-7105
DOI
10.1524/zkri.1993.203.Part-1.93
Publisher site
See Article on Publisher Site

Abstract

Abstract l -leucine nitrate, C 6 H 14 NO 2 + · NO 3 − , M = 194.187, triclinic, P 1, 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 Å 3 , D m = 1.307 gm/cc (flotation), D c = 1.301 gm/cc, Z = 2, μ = 1.06 cm −1 , λ (MoK α ) = 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 3 σ ( I ). Since the structure has a pseudo 2 1 -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.

Journal

Zeitschrift für Kristallographie - Crystalline Materialsde Gruyter

Published: Jan 1, 1993

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