Crystallography Open Database

Information card for entry 7235072

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Coordinates	7235072.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C19 H20 Cl2 N2 O4
Calculated formula	C19 H20 Cl2 N2 O4
Title of publication	Specific features of supramolecular organisation and hydrogen bonding in proline cocrystals: a case study of fenamates and diclofenac
Authors of publication	Surov, Artem O.; Voronin, Alexander P.; Vener, Mikhail V.; Churakov, Andrei V.; Perlovich, German L.
Journal of publication	CrystEngComm
Year of publication	2018
Journal volume	20
Journal issue	43
Pages of publication	6970
a	9.2716 ± 0.0009 Å
b	5.2277 ± 0.0005 Å
c	20.3473 ± 0.0019 Å
α	90°
β	102.235 ± 0.001°
γ	90°
Cell volume	963.82 ± 0.16 Å³
Cell temperature	180 ± 2 K
Ambient diffraction temperature	180 ± 2 K
Number of distinct elements	5
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0307
Residual factor for significantly intense reflections	0.0278
Weighted residual factors for significantly intense reflections	0.065
Weighted residual factors for all reflections included in the refinement	0.0667
Goodness-of-fit parameter for all reflections included in the refinement	1.045
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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