Crystallography Open Database

Information card for entry 2241347

Preview

Structure parameters

Chemical name	2-(4-Methoxyphenyl)-6-nitroimidazo[1,2-<i>a</i>]pyridine-3-carbaldehyde
Formula	C15 H11 N3 O4
Calculated formula	C15 H11 N3 O4
SMILES	c1c(ccc2n1c(C=O)c(c1ccc(cc1)OC)n2)N(=O)=O
Title of publication	Crystal structure of 2-(4-methoxyphenyl)-6-nitroimidazo[1,2-<i>a</i>]pyridine-3-carbaldehyde
Authors of publication	Koudad, Mohamed; Elaatiaoui, Abdelmalik; Benchat, Noureddine; Saadi, Mohamed; El Ammari, Lahcen
Journal of publication	Acta Crystallographica Section E
Year of publication	2015
Journal volume	71
Journal issue	12
Pages of publication	o979 - o980
a	10.8516 ± 0.0006 Å
b	12.071 ± 0.0006 Å
c	10.2631 ± 0.0005 Å
α	90°
β	93.2 ± 0.002°
γ	90°
Cell volume	1342.26 ± 0.12 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	4
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	0.0881
Residual factor for significantly intense reflections	0.0439
Weighted residual factors for significantly intense reflections	0.098
Weighted residual factors for all reflections included in the refinement	0.1198
Goodness-of-fit parameter for all reflections included in the refinement	1.018
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
181914 (current)	2016-04-06	hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/13.	2241347.cif 2241347.hkl
170464	2015-11-22	cif/ hkl/ Adding structures of 2241347 via cif-deposit CGI script.	2241347.cif 2241347.hkl