Crystallography Open Database

Information card for entry 1519997

1519996 << 1519997 >> 1519998

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Coordinates	1519997.cif
External links	PubChem

Structure parameters

Chemical name	Adipic Acid and 2-Methylimidazole
Formula	C10 H18 N2 O5
Calculated formula	C10 H18 N2 O5
Title of publication	2-Methylimidazolium hemiadipate hemiadipic acid hydrate
Authors of publication	Callear, Samantha K.; Hursthouse, Michael B.
Journal of publication	Crystal Structure Report Archive
Year of publication	2008
Pages of publication	521
a	4.8629 ± 0.0003 Å
b	7.9978 ± 0.0005 Å
c	16.5263 ± 0.0011 Å
α	96.951 ± 0.001°
β	94.475 ± 0.001°
γ	107.384 ± 0.001°
Cell volume	604.44 ± 0.07 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0573
Residual factor for significantly intense reflections	0.0516
Weighted residual factors for significantly intense reflections	0.1437
Weighted residual factors for all reflections included in the refinement	0.1504
Goodness-of-fit parameter for all reflections included in the refinement	1.051
Diffraction radiation wavelength	0.671 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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