Crystallography Open Database

Information card for entry 7206991

7206990 << 7206991 >> 7206992

Preview

Coordinates	7206991.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	suberoylanilide hydroxamic acid
Chemical name	suberoylanilide hydroxamic acid
Formula	C14 H20 N2 O3
Calculated formula	C14 H20 N2 O3
SMILES	O=C(Nc1ccccc1)CCCCCCC(=O)NO
Title of publication	A cocrystal is the key intermediates for the production of a new polymorph of Vorinostat
Authors of publication	Puigjaner, Cristina; Barbas, Rafael; Portell, Anna; Valverde, Ismael; Vila, Xavier; Alcobé, Xavier; Font-Bardia, Mercè; Prohens, Rafel
Journal of publication	CrystEngComm
Year of publication	2012
Journal volume	14
Journal issue	2
Pages of publication	362
a	19.3146 ± 0.0004 Å
b	8.46572 ± 0.00007 Å
c	8.94208 ± 0.0001 Å
α	90°
β	94.522 ± 0.0012°
γ	90°
Cell volume	1457.59 ± 0.04 Å³
Cell temperature	295 K
Ambient diffraction temperature	295 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor R(I) for significantly intense reflections	2.8322
Method of determination	powder diffraction
Diffraction radiation wavelength	1.5418 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
180400 (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 7/20/69.	7206991.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7206991.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7206991.cif
32455	2012-02-09	../uploads/cif-deposit/cod/cif Adding structures of 7206988, 7206989, 7206990, 7206991 via cif-deposit CGI script.	7206991.cif