Crystallography Open Database

Information card for entry 2022672

2022671 << 2022672 >> 2022673

Preview

Coordinates	2022672.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	1-Hydroxy-5-methyl-7-phenylpyrido[3,4-<i>d</i>]pyridazin-4(3<i>H</i>)-one dimethylformamide monosolvate
Formula	C17 H18 N4 O3
Calculated formula	C17 H18 N4 O3
Title of publication	Structure and cytotoxic properties of 1-hydroxy-5-methyl-7-phenylpyrido[3,4-<i>d</i>]pyridazin-4(3<i>H</i>)-one and its mono- and disubstituted ethyl acetates
Authors of publication	Wójcicka, Anna; Becan, Lilianna; Rembiałkowska, Nina; Pyra, Anna; Bryndal, Iwona
Journal of publication	Acta Crystallographica Section C
Year of publication	2022
Journal volume	78
Journal issue	10
Pages of publication	559 - 569
a	6.8722 ± 0.0002 Å
b	11.0502 ± 0.0003 Å
c	11.209 ± 0.0003 Å
α	65.618 ± 0.003°
β	89.798 ± 0.002°
γ	87.085 ± 0.002°
Cell volume	774.14 ± 0.04 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 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	0.0474
Residual factor for significantly intense reflections	0.0441
Weighted residual factors for significantly intense reflections	0.1223
Weighted residual factors for all reflections included in the refinement	0.1252
Goodness-of-fit parameter for all reflections included in the refinement	1.072
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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