Crystallography Open Database

Information card for entry 7055089

Preview

Coordinates	7055089.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	Methyl 6'-amino-5-bromo-5'-cyano-2-oxo-1'-phenyl-1'H-spiro[indoline-3,4'-pyrano[2,3-c]pyrazole]-3'-carboxylate
Formula	C25 H20 Br N5 O5
Calculated formula	C25 H20 Br N5 O5
Title of publication	A novel one pot four-component reaction for the efficient synthesis of spiro[indoline-3,4′-pyrano[2,3-c]pyrazole]-3′-carboxylate and trifluoromethylated spiro[indole-3,4′-pyrano[2,3-c]pyrazole] derivatives using recyclable PEG-400
Authors of publication	Karnakar, K.; Ramesh, K.; Reddy, K. Harsha Vardhan; Anil Kumar, B. S. P.; Nanubonula, Jagadeesh Babu; Nageswar, Y. V. D.
Journal of publication	New J. Chem.
Year of publication	2015
Journal volume	39
Journal issue	11
Pages of publication	8978
a	10.107 ± 0.003 Å
b	11.058 ± 0.003 Å
c	12.667 ± 0.003 Å
α	71.325 ± 0.004°
β	71.161 ± 0.004°
γ	78.62 ± 0.004°
Cell volume	1262.3 ± 0.6 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0745
Residual factor for significantly intense reflections	0.0468
Weighted residual factors for significantly intense reflections	0.1258
Weighted residual factors for all reflections included in the refinement	0.1409
Goodness-of-fit parameter for all reflections included in the refinement	1.028
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
171313 (current)	2015-12-09	cif/ Updating files of 7055089 Original log message: Adding full bibliography for 7055089.cif.	7055089.cif
154308	2015-09-05	cif/ Adding structures of 7055089 via cif-deposit CGI script.	7055089.cif