Crystallography Open Database

Information card for entry 2022593

2022592 << 2022593 >> 2022594

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Coordinates	2022593.cif
Original IUCr paper	HTML

Structure parameters

Common name	2,7-Dihydroxynaphthalene–piracetam (1/1)
Chemical name	Naphthalene-2,7-diol; 2-(2-oxopyrrolidin-1-yl)acetamide
Formula	C16 H18 N2 O4
Calculated formula	C16 H18 N2 O4
SMILES	c1c(ccc2ccc(cc12)O)O.C(=O)(CN1C(=O)CCC1)N
Title of publication	Crystal structures of cocrystals of 2,7-dihydroxynaphthalene with isoniazid and piracetam
Authors of publication	González-González, Juan Saulo; Valiente Flores, Miguel Eulalio; Flores-Alamo, Marco; López-Macías, Elizabeth; Martínez-Martínez, Francisco Javier; García-Ortega, Héctor
Journal of publication	Acta Crystallographica Section C
Year of publication	2022
Journal volume	78
Journal issue	5
a	13.6888 ± 0.0008 Å
b	11.037 ± 0.0006 Å
c	9.6269 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	1454.46 ± 0.14 Å³
Cell temperature	130 ± 2 K
Ambient diffraction temperature	130 ± 2 K
Number of distinct elements	4
Space group number	29
Hermann-Mauguin space group symbol	P c a 21
Hall space group symbol	P 2c -2ac
Residual factor for all reflections	0.0443
Residual factor for significantly intense reflections	0.0358
Weighted residual factors for significantly intense reflections	0.0756
Weighted residual factors for all reflections included in the refinement	0.0816
Goodness-of-fit parameter for all reflections included in the refinement	1.07
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
274468 (current)	2022-04-12	cif/ hkl/ Adding structures of 2022592, 2022593 via cif-deposit CGI script.	2022593.cif