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Crystal and molecular structure of L-(S)-histidine dihydrochloride (monoclinic form)

Veröffentlicht/Copyright: 28. Juli 2010
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Zeitschrift für Kristallographie - Crystalline Materials
Aus der Zeitschrift Zeitschrift für Kristallographie - Crystalline Materials Band 210 Heft 2

Abstract

Single crystals of L-histidine dihydrochloride were obtained from an aqueous solution containing L-histidine and diluted hydrochloric acid. The crystals are monoclinic with the cell dimensions, a = 5.243(2) Å, b = 7.257(1) Å, c = 13.350(1) Å, β = 92.65(1)°, space group P21, and Z = 2. Least-squares refinement using 2685 X-ray (MoKα) reflections has led to an R factor of 0.029. The L-histidine moiety in this complex exists as a dication where the carboxylic group as well as the amino nitrogen and the imidazole ring are protonated. Based on the N–Cα–Cβ–Cγ torsion angle (ψ⊥ = 57.1°), the conformation of the histidine molecule in this structure is g+, whereas the conformation in the orthorhombic form of this complex (reported earlier) is g−. There are no direct contacts (hydrogen bonds) between the histidine moieties as all the intermolecular bonding seem to involve Cl− ions.

Published Online: 2010-7-28
Published in Print: 1995-2-1

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Artikel in diesem Heft

  1. Perfect planar antiphase-domain structures: a shift-lattice interpretation
  2. TlIn5S6: ein neues, gemischtvalentes ternäres Chalkogenid und sein kristallchemisches Umfeld
  3. Crystal structure of KBe2BO3F2
  4. The crystal structures of Mo4Al17 and Mo5Al22
  5. Influence of coordinating anions on the stereochemistry of mixed-ligand copper (II) compounds. Crystal structure and spectra of bromo (3-cyano-2,4-pentanedionato) (N,N-dimethyl-1,2-diaminoethane)copper(II)
  6. Structure of 2′-hydroxy flavone1
  7. Steric effects in the structure of mixed-ligand nickel (II) chelates. Crystal and molecular structure of [N,N′-diphenyl-1,2-diaminoethane)-bis(1,1,1,5,5,5,-hexafluoro-2,4-pentanedionato)nickel(II)]
  8. Crystal and molecular structure of noscapine 1
  9. Crystal and molecular structure of L-(S)-histidine dihydrochloride (monoclinic form)
  10. Crystal and molecular structure of P,P-diphenyl-N-methyl-thiophosphinylthioformamide
  11. Evidence of solvent coordination in mixed-ligand copper(II) chelates. Crystal and molecular structure of aquo(N,N,N′,N′-tetramethyl-1,2-diaminoethane) (3-cyano-2,4-pentanedionato)copper(II) perchlorate
  12. Structure of (TEA)2CuCl4 and hydration
  13. Crystal structure of guanidinium cyclodecaphosphate tetrahydrate
  14. Lewis acidic/Lewis basic character of the bis(triphenyltin) succinate moiety in the hexanuclear complex, [bis(triphenyltin) succinate · 2quinoline N-oxide] · 2[bis(triphenyltin) succinate]*
  15. Novel aspects in structures of copper (II) Schiff base complexes
  16. Crystal structure of dipotassium lithium catena-di-μ-phosphidoaluminate, K2LiAlP2
  17. Crystal structure of sodium potassium antimonide triantimonidogallate, K6Na3Sb[GaSb3]
  18. Crystal structure of lithium pentachlorodiytterbate(II), LiYb2Cl5
  19. Crystal structure of tricaesium enneachlorodilutetate(III), Cs3Lu2Cl9
  20. Crystal structure of cyanoacetato-tetrahydrofuran-tris(3-phenylpyrazol-1-yl) hydroborato-cadmium, C34H32BCdN7O3
  21. Crystal structure of acetato-1,5,9-triazacyclododecane-zinc tetraphenylborate, [(C9H21N3)(CH3CO2)Zn] [(C6H5)4B]
  22. Crystal structure of the tetraacetate of erythro-1,2-bis(4-hydroxy-3-methoxyphenyl)-1,3-propanediol, C25H28O10
  23. Crystal structure of 1-methylpyridinium-2-dithiocarboxylate, C7H7NS2
  24. Crystal structure of 1,6-dimethylpyridinium-2-dithiocarboxylate, C8H9NS2
  25. Crystal structure of 4,5-dihydro-1H,3H-1-benzazepin-2-one, C10H11NO
  26. Crystal structure of hexakis(ethanolammonium) decavanadate dihydrate,(C2H8NO)6(V10O28)(H2O)2
  27. Crystal structure of N-phenyl-7,8-benzo-5-(E)-methylmethylene-2,3-diazatricyclo[4.4.0.04,9]non-2-ene-dicarboximide, C21H17N3O2
  28. Crystal structure of N-phenyl-2,3-diaza-5-(E)-carbomethoxy-methylene-tricyclo[4.3.0.04,9]nonane-2,3-dicarboximide, C18H17N3O4
  29. Crystal structure of potassium cadmium thallium (14/9/21), K14Cd9Tl21
https://doi.org/10.1524/zkri.1995.210.2.114

Artikel in diesem Heft

  1. Perfect planar antiphase-domain structures: a shift-lattice interpretation
  2. TlIn5S6: ein neues, gemischtvalentes ternäres Chalkogenid und sein kristallchemisches Umfeld
  3. Crystal structure of KBe2BO3F2
  4. The crystal structures of Mo4Al17 and Mo5Al22
  5. Influence of coordinating anions on the stereochemistry of mixed-ligand copper (II) compounds. Crystal structure and spectra of bromo (3-cyano-2,4-pentanedionato) (N,N-dimethyl-1,2-diaminoethane)copper(II)
  6. Structure of 2′-hydroxy flavone1
  7. Steric effects in the structure of mixed-ligand nickel (II) chelates. Crystal and molecular structure of [N,N′-diphenyl-1,2-diaminoethane)-bis(1,1,1,5,5,5,-hexafluoro-2,4-pentanedionato)nickel(II)]
  8. Crystal and molecular structure of noscapine 1
  9. Crystal and molecular structure of L-(S)-histidine dihydrochloride (monoclinic form)
  10. Crystal and molecular structure of P,P-diphenyl-N-methyl-thiophosphinylthioformamide
  11. Evidence of solvent coordination in mixed-ligand copper(II) chelates. Crystal and molecular structure of aquo(N,N,N′,N′-tetramethyl-1,2-diaminoethane) (3-cyano-2,4-pentanedionato)copper(II) perchlorate
  12. Structure of (TEA)2CuCl4 and hydration
  13. Crystal structure of guanidinium cyclodecaphosphate tetrahydrate
  14. Lewis acidic/Lewis basic character of the bis(triphenyltin) succinate moiety in the hexanuclear complex, [bis(triphenyltin) succinate · 2quinoline N-oxide] · 2[bis(triphenyltin) succinate]*
  15. Novel aspects in structures of copper (II) Schiff base complexes
  16. Crystal structure of dipotassium lithium catena-di-μ-phosphidoaluminate, K2LiAlP2
  17. Crystal structure of sodium potassium antimonide triantimonidogallate, K6Na3Sb[GaSb3]
  18. Crystal structure of lithium pentachlorodiytterbate(II), LiYb2Cl5
  19. Crystal structure of tricaesium enneachlorodilutetate(III), Cs3Lu2Cl9
  20. Crystal structure of cyanoacetato-tetrahydrofuran-tris(3-phenylpyrazol-1-yl) hydroborato-cadmium, C34H32BCdN7O3
  21. Crystal structure of acetato-1,5,9-triazacyclododecane-zinc tetraphenylborate, [(C9H21N3)(CH3CO2)Zn] [(C6H5)4B]
  22. Crystal structure of the tetraacetate of erythro-1,2-bis(4-hydroxy-3-methoxyphenyl)-1,3-propanediol, C25H28O10
  23. Crystal structure of 1-methylpyridinium-2-dithiocarboxylate, C7H7NS2
  24. Crystal structure of 1,6-dimethylpyridinium-2-dithiocarboxylate, C8H9NS2
  25. Crystal structure of 4,5-dihydro-1H,3H-1-benzazepin-2-one, C10H11NO
  26. Crystal structure of hexakis(ethanolammonium) decavanadate dihydrate,(C2H8NO)6(V10O28)(H2O)2
  27. Crystal structure of N-phenyl-7,8-benzo-5-(E)-methylmethylene-2,3-diazatricyclo[4.4.0.04,9]non-2-ene-dicarboximide, C21H17N3O2
  28. Crystal structure of N-phenyl-2,3-diaza-5-(E)-carbomethoxy-methylene-tricyclo[4.3.0.04,9]nonane-2,3-dicarboximide, C18H17N3O4
  29. Crystal structure of potassium cadmium thallium (14/9/21), K14Cd9Tl21
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