Crystallography Open Database

Information card for entry 1543066

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Structure parameters

Chemical name	<i>N</i>'-[(1<i>S</i>,3<i>R</i>,8<i>R</i>)-2,2-Dichloro-3,7,7,10-tetramethyltricyclo[6.4.0.0^1,3^]dodecan-11-yl]acetohydrazide
Formula	C18 H26 Cl2 N2 O
Calculated formula	C18 H26 Cl2 N2 O
SMILES	ClC1(Cl)[C@]23[C@]1(CCCC([C@H]2C=C(C(=N\NC(=O)C)\C3)C)(C)C)C
Title of publication	<i>N</i>'-[(1<i>S</i>,3<i>R</i>,8<i>R</i>)-2,2-Dichloro-3,7,7,10-tetramethyltricyclo[6.4.0.0^1,3^]dodecan-11-yl]acetohydrazide
Authors of publication	Benharref, Ahmed; Oukhrib, Abdelouhed; Ait Elhad, Mustapha; Daran, Jean-Claude; Berraho, Moha
Journal of publication	IUCrData
Year of publication	2016
Journal volume	1
Journal issue	4
Pages of publication	x160554
a	9.9172 ± 0.0005 Å
b	10.001 ± 0.0005 Å
c	10.4124 ± 0.0005 Å
α	86.863 ± 0.004°
β	84.173 ± 0.004°
γ	66.037 ± 0.004°
Cell volume	938.73 ± 0.09 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
Space group number	1
Hermann-Mauguin space group symbol	P 1
Hall space group symbol	P 1
Residual factor for all reflections	0.0554
Residual factor for significantly intense reflections	0.0534
Weighted residual factors for significantly intense reflections	0.1432
Weighted residual factors for all reflections included in the refinement	0.1456
Goodness-of-fit parameter for all reflections included in the refinement	1.063
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

Version history

Revision	Date	Message	Files
301779 (current)	2025-08-18	Add cross-references to PubChem compounds in COD range 1/54 Each referenced PubChem compound corresponds to the full crystal structure.	1543066.cif 1543066.hkl
182001	2016-04-09	cif/ hkl/ Adding structures of 1543066 via cif-deposit CGI script.	1543066.cif 1543066.hkl