Crystallography Open Database

Information card for entry 7157041

Preview

Coordinates	7157041.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	N-(3-(6,7-dihydro-5H-[1,2,3]triazolo[5',1':3,4][1,4]diazepino[1,2-a]indole-1-carbonyl)phenyl)acetamide
Formula	C22 H19 N5 O2
Calculated formula	C22 H19 N5 O2
Title of publication	Catalyst-free facile synthesis of polycyclic indole/pyrrole substituted-1,2,3-triazoles.
Authors of publication	Gour, Jitendra; Gatadi, Srikanth; Akunuri, Ravikumar; Yaddanapudi, Madhavi Venkata; Nengroo, Mushtaq Ahmad; Datta, Dipak; Chopra, Sidharth; Nanduri, Srinivas
Journal of publication	Organic & biomolecular chemistry
Year of publication	2019
Journal volume	17
Journal issue	35
Pages of publication	8153 - 8165
a	14.4652 ± 0.0012 Å
b	15.665 ± 0.003 Å
c	8.435 ± 0.002 Å
α	90°
β	91.931 ± 0.007°
γ	90°
Cell volume	1910.3 ± 0.6 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	0.0772
Residual factor for significantly intense reflections	0.0533
Weighted residual factors for significantly intense reflections	0.1497
Weighted residual factors for all reflections included in the refinement	0.1703
Goodness-of-fit parameter for all reflections included in the refinement	1.172
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
225274 (current)	2019-11-08	cif/ Updating files of 7157041 Original log message: Adding full bibliography for 7157041.cif.	7157041.cif
217607	2019-08-20	cif/ Adding structures of 7157041 via cif-deposit CGI script.	7157041.cif