Crystallography Open Database

Information card for entry 8106229

Preview

Coordinates	8106229.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H14 N2 O3
Calculated formula	C16 H14 N2 O3
SMILES	N(/NC(=O)Cc1ccccc1)=C\c1c(C(=O)O)cccc1
Title of publication	The crystal structure of 2-carboxybenzaldehyde-2-phenylacetohydrazone, C16H14N2O3
Authors of publication	Peng-Fei, Li; Chang-Qing, Cao; Xi-Shi, Tai
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2018
Journal volume	233
Journal issue	4
Pages of publication	601 - 602
a	7.7698 ± 0.0016 Å
b	8.302 ± 0.0017 Å
c	12.197 ± 0.002 Å
α	92.94 ± 0.03°
β	107.03 ± 0.03°
γ	110.41 ± 0.03°
Cell volume	694.6 ± 0.3 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	0.0694
Residual factor for significantly intense reflections	0.0582
Weighted residual factors for significantly intense reflections	0.1563
Weighted residual factors for all reflections included in the refinement	0.1683
Goodness-of-fit parameter for all reflections included in the refinement	0.998
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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