Crystallography Open Database

Information card for entry 7239874

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Structure parameters

Formula	C6 H12 Cl2 N2 O
Calculated formula	C6 H12 Cl2 N2 O
Title of publication	Synthesis, intermolecular interactions and biological activities of two new organic–inorganic hybrids C6H10N2,2Br and C6H10N2,2Cl·H2O
Authors of publication	Hamdi, Intissar; Bkhairia, Intidhar; Roodt, Andreas; Roisnel, Thierry; Nasri, Moncef; Naïli, Houcine
Journal of publication	RSC Advances
Year of publication	2020
Journal volume	10
Journal issue	10
Pages of publication	5864 - 5873
a	16.678 ± 0.005 Å
b	7.107 ± 0.005 Å
c	15.865 ± 0.005 Å
α	90 ± 0.005°
β	97.397 ± 0.005°
γ	90 ± 0.005°
Cell volume	1864.8 ± 1.5 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0289
Residual factor for significantly intense reflections	0.0246
Weighted residual factors for significantly intense reflections	0.0731
Weighted residual factors for all reflections included in the refinement	0.0915
Goodness-of-fit parameter for all reflections included in the refinement	1.191
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
301866 (current)	2025-08-23	Add cross-references to PubChem compounds in COD range 7/23/ Each referenced PubChem compound corresponds to the full crystal structure.	7239874.cif
257970	2020-10-06	cif/ Updating files of 7239874, 7239875 Original log message: Adding full bibliography for 7239874--7239875.cif.	7239874.cif
247559	2020-02-04	cif/ Adding structures of 7239874, 7239875 via cif-deposit CGI script.	7239874.cif