Crystallography Open Database

Information card for entry 7233924

Preview

Coordinates	7233924.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H28 N6 O
Calculated formula	C20 H28 N6 O
Title of publication	Design, synthesis and biological evaluation of 1,2,3-triazole based 2-aminobenzimidazoles as novel inhibitors of LasR dependent quorum sensing in Pseudomonas aeruginosa
Authors of publication	Srinivasarao, Singireddi; Nandikolla, Adinarayana; Nizalapur, Shashidhar; Yu, Tsz Tin; Pulya, Sravani; Ghosh, Balaram; Murugesan, Sankaranarayanan; Kumar, Naresh; Chandra Sekhar, Kondapalli Venkata Gowri
Journal of publication	RSC Advances
Year of publication	2019
Journal volume	9
Journal issue	50
Pages of publication	29273
a	18.8646 ± 0.0007 Å
b	5.4019 ± 0.0002 Å
c	20.0357 ± 0.0006 Å
α	90°
β	90.614 ± 0.003°
γ	90°
Cell volume	2041.61 ± 0.12 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.0834
Residual factor for significantly intense reflections	0.0671
Weighted residual factors for significantly intense reflections	0.1867
Weighted residual factors for all reflections included in the refinement	0.2036
Goodness-of-fit parameter for all reflections included in the refinement	1.063
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
218414 (current)	2019-09-18	cif/ Adding structures of 7233924 via cif-deposit CGI script.	7233924.cif