Crystallography Open Database

Information card for entry 4348417

Preview

Coordinates	4348417.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H21 N3 O
Calculated formula	C22 H21 N3 O
SMILES	O=C(/N=C(\Nc1ccc(cc1)C)NCc1ccccc1)c1ccccc1
Title of publication	DNA/protein binding, DNA cleavage, cytotoxicity, superoxide radical scavenging and molecular docking studies of copper(ii) complexes containing N-benzyl-N′-aryl-N′′-benzoylguanidine ligands
Authors of publication	Jeyalakshmi, Kumaramangalam; Arun, Yuvaraj; Bhuvanesh, Nattamai S. P.; Perumal, Paramasivan Thirumalai; Sreekanth, Anandaram; Karvembu, Ramasamy
Journal of publication	Inorganic Chemistry Frontiers
Year of publication	2015
Journal volume	2
Journal issue	8
Pages of publication	780
a	12.6374 ± 0.0015 Å
b	12.789 ± 0.0015 Å
c	12.804 ± 0.0015 Å
α	73.447 ± 0.002°
β	75.957 ± 0.002°
γ	74.303 ± 0.002°
Cell volume	1878.7 ± 0.4 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0513
Residual factor for significantly intense reflections	0.0424
Weighted residual factors for significantly intense reflections	0.1098
Weighted residual factors for all reflections included in the refinement	0.1153
Goodness-of-fit parameter for all reflections included in the refinement	1.045
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
232905 (current)	2019-11-23	cif/ Adding structures of 4348413, 4348414, 4348415, 4348416, 4348417, 4348418, 4348419 via cif-deposit CGI script.	4348417.cif