Crystallography Open Database

Information card for entry 2102097

2102096 << 2102097 >> 2102098

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Coordinates	2102097.cif
Original IUCr paper	HTML

Structure parameters

Common name	L-histidine complexed with maleic acid
Formula	C10 H13 N3 O6
Calculated formula	C10 H13 N3 O6
SMILES	O=C([O-])[C@@H]([NH3+])Cc1c[nH]c[nH+]1.O=C([O-])/C=C\C(=O)O
Title of publication	X-ray studies on crystalline complexes involving amino acids and peptides. XXXV. Invariance and variability in amino acid aggregation in the complexes of maleic acid with <small>L</small>-histidine and <small>L</small>-lysine
Authors of publication	J.V. Pratap; R. Ravishankar; M.Vijayan
Journal of publication	Acta Crystallographica Section B
Year of publication	2000
Journal volume	56
Journal issue	4
Pages of publication	690 - 696
a	5.3893 ± 0.0012 Å
b	9.3851 ± 0.0013 Å
c	12.3681 ± 0.0009 Å
α	107.054 ± 0.009°
β	98.569 ± 0.012°
γ	97.303 ± 0.014°
Cell volume	581.65 ± 0.17 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	1
Hermann-Mauguin space group symbol	P 1
Hall space group symbol	P 1
Residual factor for all reflections	0.0527
Residual factor for significantly intense reflections	0.0512
Weighted residual factors for all reflections	0.1686
Weighted residual factors for all reflections included in the refinement	0.1473
Goodness-of-fit parameter for all reflections	1.069
Goodness-of-fit parameter for all reflections included in the refinement	1.047
Diffraction radiation wavelength	1.5418 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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