Crystallography Open Database

Information card for entry 7209772

7209771 << 7209772 >> 7209773

Preview

Coordinates	7209772.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	n-butylammoniun salt of tolbutamide
Formula	C16 H29 N3 O3 S
Calculated formula	C16 H29 N3 O3 S
Title of publication	Crystalline products of tolbutamide decomposition in water after microwave treatment
Authors of publication	Drebushchak, Tatiana N.; Pankrushina, Natalia A.; Mikheev, Aleksandr N.; Thumm, Manfred K. A.
Journal of publication	CrystEngComm
Year of publication	2013
Journal volume	15
Journal issue	18
Pages of publication	3582
a	13.5031 ± 0.0006 Å
b	11.2985 ± 0.0005 Å
c	25.4543 ± 0.0012 Å
α	90°
β	98.694 ± 0.004°
γ	90°
Cell volume	3838.8 ± 0.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
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	0.1041
Residual factor for significantly intense reflections	0.0677
Weighted residual factors for significantly intense reflections	0.1339
Weighted residual factors for all reflections included in the refinement	0.1506
Goodness-of-fit parameter for all reflections included in the refinement	1.041
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
180428 (current)	2016-03-26	cif/7/20/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/20/97.	7209772.cif
86093	2013-05-09	cif/ Adding structures of 7209772, 7209773 via cif-deposit CGI script.	7209772.cif