Crystallography Open Database

Information card for entry 2022776

2022775 << 2022776 >> 2022777

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Structure parameters

Chemical name	2-(4-Methoxynaphthalen-1-yl)-1<i>H</i>-benzo[<i>d</i>]imidazole
Formula	C18 H14 N2 O
Calculated formula	C18 H14 N2 O
SMILES	O(c1ccc(c2[nH]c3ccccc3n2)c2ccccc12)C
Title of publication	Synthesis and crystal structures of two 1H-benzo[d]imidazole derivatives: DFT and anticorrosion studies, and Hirshfeld surface analysis
Authors of publication	Ghichi, Nadir; Djedouani, Amel; Hannachid, Douniazed; Elhadi, Said Mohamed; Benboudiaf, Ali; Merazig, Hocine; Ouksel, Louiza; Hellal, Abdelkader; Stoeckli-Evans, Helen
Journal of publication	Acta Crystallographica Section C Structural Chemistry
Year of publication	2023
Journal volume	79
Journal issue	7
Pages of publication	292 - 304
a	9.1548 ± 0.0005 Å
b	9.7791 ± 0.0005 Å
c	15.6336 ± 0.0009 Å
α	90°
β	90°
γ	90°
Cell volume	1399.61 ± 0.13 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	29
Hermann-Mauguin space group symbol	P c a 21
Hall space group symbol	P 2c -2ac
Residual factor for all reflections	0.041
Residual factor for significantly intense reflections	0.0357
Weighted residual factors for significantly intense reflections	0.0871
Weighted residual factors for all reflections included in the refinement	0.0896
Goodness-of-fit parameter for all reflections included in the refinement	1.071
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
284684 (current)	2023-06-29	cif/ hkl/ Adding structures of 2022776, 2022777 via cif-deposit CGI script.	2022776.cif 2022776.hkl