Crystallography Open Database

Information card for entry 7217740

Preview

Coordinates	7217740.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	2-(4-methoxybenzoyl)-3-(4-nitrophenyl)spiro[cyclopropane-1,3'-indolin]-2'-one
Formula	C24 H18 N2 O5
Calculated formula	C24 H18 N2 O5
SMILES	O=C(c1ccc(OC)cc1)[C@H]1[C@@]2(c3c(NC2=O)cccc3)[C@@H]1c1ccc(N(=O)=O)cc1.O=C(c1ccc(OC)cc1)[C@@H]1[C@]2(c3c(NC2=O)cccc3)[C@H]1c1ccc(N(=O)=O)cc1
Title of publication	Diastereoselective synthesis of spiro[cyclopropane-1,3’-indolin]-2’-ones through metal-free cyclopropanation using tosylhydrazone salts
Authors of publication	Kapure, Jeevak; Reddy, Chada Narsimha; Adiyala, Praveen; Nayak, Ranjita; V, Lakshma Nayak; Nanubolu, Jagadeesh Babu; Singarapu, Kiran Kumar; Maurya, Ram Awatar
Journal of publication	RSC Advances
Year of publication	2014
a	10.2802 ± 0.0008 Å
b	11.3015 ± 0.0009 Å
c	18.059 ± 0.0014 Å
α	90°
β	104.234 ± 0.001°
γ	90°
Cell volume	2033.7 ± 0.3 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/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0425
Residual factor for significantly intense reflections	0.0377
Weighted residual factors for significantly intense reflections	0.1
Weighted residual factors for all reflections included in the refinement	0.1048
Goodness-of-fit parameter for all reflections included in the refinement	1.025
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
180508 (current)	2016-03-26	cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/77.	7217740.cif
121939	2014-08-14	cif/ Adding structures of 7217740 via cif-deposit CGI script.	7217740.cif