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A neutron diffraction study of hydrogen bonding in the deuterium (hydrogen) L-arginine phosphate monohydrate

Published/Copyright: July 28, 2010
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Zeitschrift für Kristallographie - Crystalline Materials
From the journal Zeitschrift für Kristallographie - Crystalline Materials Volume 212 Issue 3

Abstract

The crystal structure of the title compound D(H)LAP with chemical formula (D2N)2CND · (CH2)3CH(ND3)CO2 · D2PO4 · D2O has been determined by single crystal neutron diffraction. Positional and thermal parameters of atoms were refined by block diagonal matrix least-squares technique. A final Rf value of 0.048 was obtained for 1040 observed independent reflections. The crystal structure consists of alternate layers of phosphate groups and ariginine molecules stacked along the a-axis and held together by hydrogen bonds. By deuteration of HLAP, the deuteriums occupy hydrogen positions except those hydrogen atoms bonded to carbon atoms. All the D(H) bond lengths in D(H)LAP are about 10% to 30% longer than those in HLAP And bond angles are obviously different from references [1] and [2].

Published Online: 2010-7-28
Published in Print: 1997-3-1

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Articles in the same Issue

  1. A bond valence analysis of electroluminescent ZnS: Cu, Cl to elucidate the aging mechanism
  2. Elastic properties of sulfanilates of Li, Na, K, Rb, Cs, Tl, NH4, CH3NH3 and C(NH2)3
  3. Structure investigation of Pb5MoO8 single crystals by selected area electron diffraction
  4. Die„geordnete gemittelte“ Kristallstruktur von Parascholzit. Zur Dimorphie von CaZn2(PO4)2 · 2H2O, Parascholzit – Scholzit
  5. Mixed chalcogen rings in copper(I) halides: crystal structures of CuBrSe2.36S0.64, CuISe2.6S0.4, and CuISe1.93Te1.07
  6. The crystal structure of ganomalite, Pb9Ca5.44Mn0.56Si9O33
  7. Experimental electron density study of 1,2,4-triazole at 15 K. A comparison with ab initio-calculations
  8. A neutron diffraction study of hydrogen bonding in the deuterium (hydrogen) L-arginine phosphate monohydrate
  9. Crystal structures of (S)- and (R,S)-2,2′-bipyridine-3,3′-dicarboxylic acid 1,1′-dioxides and of their barium salts: absolute configuration and molecular distortion enforced by supramolecular self-assembly
  10. Crystal structure of tetrapotassium hexaazidododecachlorohexaniobate dihydrate,K4[Nb6Cl12(N3)6](H2O)2
  11. Crystal structure of tetrastrontium oxide hexachloride, Sr4OCl6
  12. Crystal structure of pentanatrium hexahydroxoaluminate dihydroxide, Na5[Al(OH)6](OH)2
  13. Crystal structure of disilver 2,5-dichloro-[1,4]benzoquinone-3,6-diolate, Ag2(C6O4Cl2)
  14. Crystal structure of (2S,5S,1′S)-5-hydroxymethyl-2-(1′-p-toluene-sulfonamidoethyl)-tetrahydrofurane, C14H21NO4S
  15. Crystal structure of hexakisimidazolecobalt(II) Perchlorate, C18H24Cl2CoN12O8
  16. Crystal structure of tris(morpholino)phosphoniminium triiodide, (OC4H8N)3PN+H2I3−
  17. Crystal structure of 4-ethoxycarbonyl-1,1,3-trimethyl-5-oxo-pyrazol-1-ylio-4-ide, C9H14N2O3
  18. Crystal structure of carbonyl[tri(p-chlorophenyl)phosphine] (η5-pentamethylcyclopentadienyl)iridium(I),(CO)[p-ClC6H4)3P][η5-C5(CH3)5]Ir
  19. Crystal structure of dimethyl 2R*,8-dibromo-12R*-hydroxy-11-trimethyl-silyl-bicyclo[6.2.2]dodeca-1(11),9,10-dicarboxylate, C19H28O5Br2Si
  20. Crystal structure of trimethyl 1a,6a-dihydro-4,6a-hexanooxireno[b]-oxe-pine-3,5,6-tricarboxylate, C18H22O8
  21. Crystal structure of 4a(S),4b(R),5(R),5a(S),9a(R),10a(S),11a(R)-benzoic acid-2-iodo-7,7-dimethyl-1,4,4a,4b,5,5a,9,9a,10a,11a-decahydro-6,8,10,11-tetraoxa-benzo[b]fluoren-5-ylester, C22H25IO6
https://doi.org/10.1524/zkri.1997.212.3.221

Articles in the same Issue

  1. A bond valence analysis of electroluminescent ZnS: Cu, Cl to elucidate the aging mechanism
  2. Elastic properties of sulfanilates of Li, Na, K, Rb, Cs, Tl, NH4, CH3NH3 and C(NH2)3
  3. Structure investigation of Pb5MoO8 single crystals by selected area electron diffraction
  4. Die„geordnete gemittelte“ Kristallstruktur von Parascholzit. Zur Dimorphie von CaZn2(PO4)2 · 2H2O, Parascholzit – Scholzit
  5. Mixed chalcogen rings in copper(I) halides: crystal structures of CuBrSe2.36S0.64, CuISe2.6S0.4, and CuISe1.93Te1.07
  6. The crystal structure of ganomalite, Pb9Ca5.44Mn0.56Si9O33
  7. Experimental electron density study of 1,2,4-triazole at 15 K. A comparison with ab initio-calculations
  8. A neutron diffraction study of hydrogen bonding in the deuterium (hydrogen) L-arginine phosphate monohydrate
  9. Crystal structures of (S)- and (R,S)-2,2′-bipyridine-3,3′-dicarboxylic acid 1,1′-dioxides and of their barium salts: absolute configuration and molecular distortion enforced by supramolecular self-assembly
  10. Crystal structure of tetrapotassium hexaazidododecachlorohexaniobate dihydrate,K4[Nb6Cl12(N3)6](H2O)2
  11. Crystal structure of tetrastrontium oxide hexachloride, Sr4OCl6
  12. Crystal structure of pentanatrium hexahydroxoaluminate dihydroxide, Na5[Al(OH)6](OH)2
  13. Crystal structure of disilver 2,5-dichloro-[1,4]benzoquinone-3,6-diolate, Ag2(C6O4Cl2)
  14. Crystal structure of (2S,5S,1′S)-5-hydroxymethyl-2-(1′-p-toluene-sulfonamidoethyl)-tetrahydrofurane, C14H21NO4S
  15. Crystal structure of hexakisimidazolecobalt(II) Perchlorate, C18H24Cl2CoN12O8
  16. Crystal structure of tris(morpholino)phosphoniminium triiodide, (OC4H8N)3PN+H2I3−
  17. Crystal structure of 4-ethoxycarbonyl-1,1,3-trimethyl-5-oxo-pyrazol-1-ylio-4-ide, C9H14N2O3
  18. Crystal structure of carbonyl[tri(p-chlorophenyl)phosphine] (η5-pentamethylcyclopentadienyl)iridium(I),(CO)[p-ClC6H4)3P][η5-C5(CH3)5]Ir
  19. Crystal structure of dimethyl 2R*,8-dibromo-12R*-hydroxy-11-trimethyl-silyl-bicyclo[6.2.2]dodeca-1(11),9,10-dicarboxylate, C19H28O5Br2Si
  20. Crystal structure of trimethyl 1a,6a-dihydro-4,6a-hexanooxireno[b]-oxe-pine-3,5,6-tricarboxylate, C18H22O8
  21. Crystal structure of 4a(S),4b(R),5(R),5a(S),9a(R),10a(S),11a(R)-benzoic acid-2-iodo-7,7-dimethyl-1,4,4a,4b,5,5a,9,9a,10a,11a-decahydro-6,8,10,11-tetraoxa-benzo[b]fluoren-5-ylester, C22H25IO6
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