Crystallography Open Database

Information card for entry 7152026

7152025 << 7152026 >> 7152027

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Coordinates	7152026.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C9 H15.5 N6 O2.75
Calculated formula	C9 H15.5 N6 O2.75
SMILES	O=n1c(N)c(N=O)c(N2CCCCC2)nc1N.O
Title of publication	Aromatic C-nitrosation of a bioactive molecule. Nitrosation of minoxidil.
Authors of publication	González-Jiménez, Mario; Arenas-Valgañón, Jorge; Calle, Emilio; Casado, Julio
Journal of publication	Organic & biomolecular chemistry
Year of publication	2011
Journal volume	9
Journal issue	22
Pages of publication	7680 - 7684
a	10.2884 ± 0.0003 Å
b	13.649 ± 0.0003 Å
c	18.6062 ± 0.0005 Å
α	110.437 ± 0.002°
β	95.594 ± 0.002°
γ	91.674 ± 0.002°
Cell volume	2431.07 ± 0.12 Å³
Cell temperature	273 ± 2 K
Ambient diffraction temperature	273 ± 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	0.0463
Residual factor for significantly intense reflections	0.0414
Weighted residual factors for significantly intense reflections	0.1096
Weighted residual factors for all reflections included in the refinement	0.1164
Goodness-of-fit parameter for all reflections included in the refinement	1.037
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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