Crystallography Open Database

Information card for entry 1551058

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Structure parameters

Chemical name	(<i>E</i>)-<i>N</i>'-Hydroxy-<i>N</i>,<i>N</i>-dimethyl-2-(3-nitrophenyl)acetimidamide
Formula	C10 H13 N3 O3
Calculated formula	C10 H13 N3 O3
SMILES	N(=O)(=O)c1cc(ccc1)C/C(=N\O)N(C)C
Title of publication	(<i>E</i>)-<i>N</i>'-Hydroxy-<i>N</i>,<i>N</i>-dimethyl-2-(3-nitrophenyl)acetimidamide
Authors of publication	Ruan, Yao; Zhao, Hui
Journal of publication	IUCrData
Year of publication	2019
Journal volume	4
Journal issue	5
Pages of publication	x190607
a	7.774 ± 0.0006 Å
b	8.4772 ± 0.0005 Å
c	9.6599 ± 0.0007 Å
α	66.595 ± 0.006°
β	77.917 ± 0.006°
γ	76.113 ± 0.006°
Cell volume	562.49 ± 0.07 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.0693
Residual factor for significantly intense reflections	0.0585
Weighted residual factors for significantly intense reflections	0.1452
Weighted residual factors for all reflections included in the refinement	0.1572
Goodness-of-fit parameter for all reflections included in the refinement	1.084
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

Version history

Revision	Date	Message	Files
215175 (current)	2019-05-15	cif/ hkl/ Adding structures of 1551058 via cif-deposit CGI script.	1551058.cif 1551058.hkl