Information card for entry 2005938

Structure parameters

• Common name: His-Gly dihydrochloride
• Chemical name: L-Histidyl-glycine dihydrochloride
• Formula: C8 H14 Cl2 N4 O3
• Calculated formula: C8 H14 Cl2 N4 O3
• SMILES: [Cl-].[Cl-].O=C(NCC(=O)O)[C@@H]([NH3+])Cc1[nH]c[nH+]c1
• Title of publication: <small>L</small>-Histidylglycinium Dichloride
• Authors of publication: Steiner, Th.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1997
• Journal volume: 53
• Journal issue: 2
• Pages of publication: 255 - 257
• a: 8.4083 ± 0.0007 Å
• b: 9.404 ± 0.0013 Å
• c: 15.9899 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1264.3 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0333
• Residual factor for significantly intense reflections: 0.0324
• Weighted residual factors for all reflections: 0.0916
• Weighted residual factors for significantly intense reflections: 0.091
• Goodness-of-fit parameter for all reflections: 1.094
• Goodness-of-fit parameter for significantly intense reflections: 1.105
• Diffraction radiation wavelength: 1.54176 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No