Crystallography Open Database

Information card for entry 7155311

Preview

Coordinates	7155311.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	Butyl 5-(2-hydroxybenzoyl)-2-(phenylamino)nicotinate
Formula	C23 H22 N2 O4
Calculated formula	C23 H22 N2 O4
Title of publication	A catalyst- and solvent-free thermal multicomponent approach for the construction of diverse and polysubstituted 2-aminopyridines and their antibacterial activity.
Authors of publication	Baral, Ek Raj; Sharma, Kavita; Akhtar, Muhammad Saeed; Lee, Yong Rok
Journal of publication	Organic & biomolecular chemistry
Year of publication	2016
Journal volume	14
Journal issue	43
Pages of publication	10285 - 10297
a	12.1869 ± 0.0005 Å
b	14.43 ± 0.0006 Å
c	12.8949 ± 0.0005 Å
α	90°
β	115.941 ± 0.0017°
γ	90°
Cell volume	2039.18 ± 0.15 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	0.0866
Residual factor for significantly intense reflections	0.0471
Weighted residual factors for significantly intense reflections	0.1063
Weighted residual factors for all reflections included in the refinement	0.1242
Goodness-of-fit parameter for all reflections included in the refinement	1.024
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
188295 (current)	2016-11-08	cif/ Updating files of 7155311 Original log message: Adding full bibliography for 7155311.cif.	7155311.cif
187295	2016-10-12	cif/ Adding structures of 7155311 via cif-deposit CGI script.	7155311.cif