Crystallography Open Database

Information card for entry 2017771

2017770 << 2017771 >> 2017772

Preview

Coordinates	2017771.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	2,2,2-Trifluoro-<i>N</i>-(1a,2,7,7a-tetrahydronaphtho[2,3-<i>b</i>]oxiren- 3-yl)acetamide
Formula	C12 H10 F3 N O2
Calculated formula	C12 H10 F3 N O2
SMILES	FC(F)(F)C(=O)Nc1cccc2c1C[C@H]1O[C@H]1C2.FC(F)(F)C(=O)Nc1cccc2c1C[C@@H]1O[C@@H]1C2
Title of publication	\ 2,2,2-Trifluoro-<i>N</i>-(1a,2,7,7a-tetrahydronaphtho[2,3-<i>b</i>]oxiren-3-yl)\ acetamide by X-ray powder diffraction
Authors of publication	Rukiah, Mwaffak; Assaad, Thaer
Journal of publication	Acta Crystallographica, Section C
Year of publication	2010
Journal volume	66
Journal issue	9
Pages of publication	o475 - o478
a	8.0594 ± 0.0005 Å
b	8.8122 ± 0.0005 Å
c	15.9964 ± 0.0009 Å
α	90°
β	99.4514 ± 0.0007°
γ	90°
Cell volume	1120.66 ± 0.11 Å³
Cell temperature	298 K
Ambient diffraction temperature	298 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Goodness-of-fit parameter for all reflections	1.27
Method of determination	powder diffraction
Diffraction radiation wavelength	1.5406 Å
Diffraction radiation type	CuKα~1~
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176432 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	2017771.cif
125873	2014-10-25	cod/ (saulius@koala.ibt.lt) Adding DOIs to 1887 Acta Cryst. CIFs, their DOIs fetched using ACCE codes.	2017771.cif
26848	2011-09-28	cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree.	2017771.cif
3813	2010-11-21	../uploads/cif-deposit/cod/cif Adding structures of 2017771 via cif-deposit CGI script.	2017771.cif