Crystallography Open Database

Information card for entry 1571088

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Coordinates	1571088.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H14 N2 O4
Calculated formula	C16 H14 N2 O4
SMILES	o1c2c(cc(C(=O)O)c1=O)cccc2.n1c(N)cccc1C
Title of publication	Cocrystals of a coumarin derivative: an efficient approach towards anti-leishmanial cocrystals against MIL-resistant Leishmania tropica.
Authors of publication	Shahbaz, Muhammad; Farooq, Saba; Choudhary, M. Iqbal; Yousuf, Sammer
Journal of publication	IUCrJ
Year of publication	2024
Journal volume	11
Journal issue	2
Pages of publication	224 - 236
a	8.5818 ± 0.0003 Å
b	21.8411 ± 0.0007 Å
c	7.7116 ± 0.0002 Å
α	90°
β	95.273 ± 0.001°
γ	90°
Cell volume	1439.31 ± 0.08 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0586
Residual factor for significantly intense reflections	0.0467
Weighted residual factors for significantly intense reflections	0.1196
Weighted residual factors for all reflections included in the refinement	0.1277
Goodness-of-fit parameter for all reflections included in the refinement	1.089
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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