Crystallography Open Database

Information card for entry 8107305

Preview

Coordinates	8107305.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	<i>N</i>'-[bis(2-hydroxyphenyl)methylidene]pyridine-4-carbohydrazide
Formula	C19 H15 N3 O3
Calculated formula	C19 H15 N3 O3
SMILES	c1(ccncc1)C(=O)NN=C(c1ccccc1O)c1c(cccc1)O
Title of publication	The crystal structure of N′-[bis(2-hydroxyphenyl)methylidene]pyridine-4-carbohydrazide, C19H15N3O3
Authors of publication	Setshedi, Itumeleng B.; Lemmerer, Andreas; Smith, Mark G.
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2022
Journal volume	237
Journal issue	6
Pages of publication	1105 - 1107
a	20.6917 ± 0.0006 Å
b	10.1392 ± 0.0003 Å
c	16.9544 ± 0.0005 Å
α	90°
β	115.739 ± 0.001°
γ	90°
Cell volume	3204.07 ± 0.17 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	4
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0426
Residual factor for significantly intense reflections	0.0364
Weighted residual factors for significantly intense reflections	0.0956
Weighted residual factors for all reflections included in the refinement	0.1009
Goodness-of-fit parameter for all reflections included in the refinement	1.044
Diffraction radiation probe	x-ray
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
284396 (current)	2023-06-07	cif/ Adding structures of 8107305 via cif-deposit CGI script.	8107305.cif