Crystallography Open Database

Information card for entry 2202423

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Structure parameters

Formula	C19 H16 Cl N O4
Calculated formula	C19 H16 Cl N O4
SMILES	Clc1ccc(C(=O)n2c(c(c3cc(OC)ccc23)CC(=O)O)C)cc1
Title of publication	γ-Indomethacin at 120K
Authors of publication	Philip J. Cox; Pamela L. Manson
Journal of publication	Acta Crystallographica Section E
Year of publication	2003
Journal volume	59
Journal issue	7
Pages of publication	o986 - o988
a	9.236 ± 0.005 Å
b	9.62 ± 0.005 Å
c	10.887 ± 0.005 Å
α	69.897 ± 0.005°
β	87.328 ± 0.005°
γ	69.501 ± 0.005°
Cell volume	847.9 ± 0.7 Å³
Cell temperature	120 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for significantly intense reflections	0.0443
Weighted residual factors for all reflections included in the refinement	0.1047
Goodness-of-fit parameter for all reflections included in the refinement	1.005
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

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