Crystallography Open Database

Information card for entry 7157315

Preview

Coordinates	7157315.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	4-IODO-1-(4-METHOXYPHENYL)-2-(4-NITROPHENYL)-1H-PYRROLE-3-CARBADEHYDE
Formula	C17 H10 Cl I N2 O3 S0
Calculated formula	C17 H10 Cl I N2 O3
Title of publication	Sequential multicomponent site-selective synthesis of 4-iodo and 5-iodopyrrole-3-carboxaldehydes from a common set of starting materials by tuning the conditions.
Authors of publication	Choudhary, Sachin; Yadav, Jyothi; Mamta, ?; Pawar, Amol Prakash; Vanaparthi, Satheeshvarma; Mir, Nisar A.; Iype, Eldhose; Sharma, Ratika; Kant, Rajni; Kumar, Indresh
Journal of publication	Organic & biomolecular chemistry
Year of publication	2020
Journal volume	18
Journal issue	6
Pages of publication	1155 - 1164
a	18.4757 ± 0.0012 Å
b	9.7925 ± 0.0005 Å
c	18.6956 ± 0.0013 Å
α	90°
β	90°
γ	90°
Cell volume	3382.5 ± 0.4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	7
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	0.0804
Residual factor for significantly intense reflections	0.0452
Weighted residual factors for significantly intense reflections	0.0987
Weighted residual factors for all reflections included in the refinement	0.1215
Goodness-of-fit parameter for all reflections included in the refinement	1.029
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
249036 (current)	2020-03-05	cif/ Updating files of 7157315, 7157316 Original log message: Adding full bibliography for 7157315--7157316.cif.	7157315.cif
246996	2020-01-18	cif/ Adding structures of 7157315, 7157316 via cif-deposit CGI script.	7157315.cif