Crystallography Open Database

Information card for entry 2022799

2022798 << 2022799 >> 2022800

Preview

Coordinates	2022799.cif
Original IUCr paper	HTML

Structure parameters

Common name	2-Amino-5-chlorobenzophenone oxime
Chemical name	4-Chloro-2-[(hydroxyimino)(phenyl)methyl]aniline
Formula	C13 H11 Cl N2 O
Calculated formula	C13 H11 Cl N2 O
Title of publication	Crystal structure and Hirshfeld-surface analysis of a monoclinic polymorph of 2-amino-5-chlorobenzophenone oxime at 90 K
Authors of publication	Geetha, Doreswamy; Kavitha, Channappa N.; Divakara, Thayamma R.; Basavaraju, Yeriyur B.; Yathirajan, Hemmige S.; Parkin, Sean
Journal of publication	Acta Crystallographica Section E Crystallographic Communications
Year of publication	2023
Journal volume	79
Journal issue	7
a	12.8264 ± 0.0003 Å
b	5.5423 ± 0.0001 Å
c	17.4082 ± 0.0004 Å
α	90°
β	109.522 ± 0.001°
γ	90°
Cell volume	1166.37 ± 0.04 Å³
Cell temperature	90 ± 0.2 K
Ambient diffraction temperature	90 ± 0.2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0429
Residual factor for significantly intense reflections	0.0333
Weighted residual factors for significantly intense reflections	0.0781
Weighted residual factors for all reflections included in the refinement	0.0827
Goodness-of-fit parameter for all reflections included in the refinement	1.045
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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