Crystallography Open Database

Information card for entry 7222463

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Structure parameters

Common name	pf17
Chemical name	(Z)-1-((4-bromothiophen-2-yl)methylene)-6-methylfuro[3,4-c]pyridine-3,4(1H,5H)-dione , 1-methylpyrrolidin-2-one
Formula	C18 H17 Br N2 O4 S
Calculated formula	C18 H17 Br N2 O4 S
SMILES	Brc1cc(sc1)/C=C/1OC(=O)c2c1cc([nH]c2=O)C.O=C1N(CCC1)C
Title of publication	Substituted furopyridinediones as novel inhibitors of α-glucosidase
Authors of publication	Sen, Subhabrata; Bathula, Chandramohan; Mamidala, Rajanikanth; Tulluri, Chiranjeevi; Agarwal, Rahul; Jha, Kunal Kumar; Munshi, Parthapratim; Adepally, Uma; Singh, Ashutosh; Chary, Maringanti T.
Journal of publication	RSC Adv.
Year of publication	2015
a	7.493 ± 0.0004 Å
b	32.9156 ± 0.0016 Å
c	7.6917 ± 0.0004 Å
α	90°
β	104.704 ± 0.002°
γ	90°
Cell volume	1834.93 ± 0.16 Å³
Cell temperature	295 ± 2 K
Ambient diffraction temperature	295 ± 2 K
Number of distinct elements	6
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	0.0568
Residual factor for significantly intense reflections	0.0457
Weighted residual factors for significantly intense reflections	0.113
Weighted residual factors for all reflections included in the refinement	0.1194
Goodness-of-fit parameter for all reflections included in the refinement	1.046
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.	7222463.cif
161202	2015-10-09	cif/ Adding structures of 7222463 via cif-deposit CGI script.	7222463.cif