Crystallography Open Database

Information card for entry 2243925

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Structure parameters

Chemical name	2,2,2-Trichloro-<i>N</i>,<i>N</i>-bis{[(1<i>RS</i>,4<i>SR</i>)-1,4-dihydro-1,4-epoxynaphthalen-1-yl]methyl}acetamide
Formula	C24 H18 Cl3 N O3
Calculated formula	C24 H18 Cl3 N O3
SMILES	C(=O)(C(Cl)(Cl)Cl)N(C[C@]12C=C[C@H](c3ccccc13)O2)C[C@@]12C=C[C@@H](c3ccccc13)O2
Title of publication	Crystal structure and Hirshfeld surface analysis of 2,2,2-trichloro-<i>N</i>,<i>N</i>-bis{[(1<i>RS</i>,4<i>SR</i>)-1,4-dihydro-1,4-epoxynaphthalen-1-yl]methyl}acetamide
Authors of publication	Atioğlu, Zeliha; Akkurt, Mehmet; Mammadova, Gunay Z.; Bhattarai, Ajaya
Journal of publication	Acta Crystallographica Section E
Year of publication	2021
Journal volume	77
Journal issue	10
Pages of publication	1048 - 1053
a	15.0134 ± 0.0006 Å
b	8.1336 ± 0.0003 Å
c	18.2841 ± 0.0006 Å
α	90°
β	104.307 ± 0.002°
γ	90°
Cell volume	2163.48 ± 0.14 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0646
Residual factor for significantly intense reflections	0.0412
Weighted residual factors for significantly intense reflections	0.1046
Weighted residual factors for all reflections included in the refinement	0.1179
Goodness-of-fit parameter for all reflections included in the refinement	1.013
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
271920 (current)	2022-01-07	cif/ Updating files of 2243925 Original log message: Adding full bibliography for 2243925.cif.	2243925.cif 2243925.hkl
269360	2021-09-29	cif/ hkl/ Adding structures of 2243925 via cif-deposit CGI script.	2243925.cif 2243925.hkl