Crystallography Open Database

Information card for entry 7226025

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Structure parameters

Formula	C24 H21 N3 O2
Calculated formula	C24 H21 N3 O2
SMILES	C1(=O)c2ccccc2/C(=C/c2ccccc2Nc2ccccc2C(=O)NC)N1C
Title of publication	Synthesis of Spiro Isoindolinone-indolines and 1,2-Disubstituted Indoles from 2-Iodobenzamide derivatives
Authors of publication	Yao, Ching-Fa; Villuri, Bharath Kumar; Kotipalli, Trimurtulu; Kavala, Veerababurao; Ichake, Sachin S.; Bandi, Vijayalakshmi; Kuo, Chun-Wei
Journal of publication	RSC Adv.
Year of publication	2016
a	10.813 ± 0.003 Å
b	20.064 ± 0.009 Å
c	8.964 ± 0.003 Å
α	90°
β	90.695 ± 0.009°
γ	90°
Cell volume	1944.6 ± 1.2 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 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	0.1674
Residual factor for significantly intense reflections	0.0724
Weighted residual factors for significantly intense reflections	0.1622
Weighted residual factors for all reflections included in the refinement	0.2088
Goodness-of-fit parameter for all reflections included in the refinement	1.01
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
301865 (current)	2025-08-22	Add cross-references to PubChem compounds in COD range 7/22/ Each referenced PubChem compound corresponds to the full crystal structure.	7226025.cif
184647	2016-07-23	cif/ Adding structures of 7226025, 7226026, 7226027, 7226028, 7226029, 7226030 via cif-deposit CGI script.	7226025.cif