Crystallography Open Database

Information card for entry 8107087

Preview

Coordinates	8107087.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H20 Cl2 N2 O
Calculated formula	C18 H20 Cl2 N2 O
SMILES	Clc1c(/C=N/NC(=O)C23CC4CC(C2)CC(C3)C4)c(Cl)ccc1
Title of publication	Crystal structure of N′-[(1E)-(2,6-dichlorophenyl)-methylidene]adamantane-1-carbohydrazide, C18H20Cl2N2O
Authors of publication	Aljohar, Haya I.; Ghabbour, Hazem A.; Abdelbaky, Mohammed S.M.; Garcia-Granda, Santiago; El-Emam, Ali A.
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2016
Journal volume	231
Journal issue	4
Pages of publication	1037 - 1039
a	8.1023 ± 0.0002 Å
b	18.7063 ± 0.0004 Å
c	22.5509 ± 0.0006 Å
α	90°
β	90°
γ	90°
Cell volume	3417.91 ± 0.14 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0558
Residual factor for significantly intense reflections	0.0496
Weighted residual factors for significantly intense reflections	0.147
Weighted residual factors for all reflections included in the refinement	0.1535
Goodness-of-fit parameter for all reflections included in the refinement	1.056
Diffraction radiation wavelength	1.5418 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
282731 (current)	2023-04-19	cif/ Adding structures of 8107087 via cif-deposit CGI script.	8107087.cif