Crystallography Open Database

Information card for entry 2230521

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Structure parameters

Chemical name	<i>N</i>-{3-[2-(4-Fluorophenoxy)ethyl]-2,4-dioxo-1,3-diazaspiro[4.5]decan- 7-yl}-4-methylbenzamide
Formula	C24 H26 F N3 O4
Calculated formula	C24 H26 F N3 O4
SMILES	Fc1ccc(OCCN2C(=O)N[C@@]3(C2=O)C[C@H](NC(=O)c2ccc(cc2)C)CCC3)cc1.Fc1ccc(OCCN2C(=O)N[C@]3(C2=O)C[C@@H](NC(=O)c2ccc(cc2)C)CCC3)cc1
Title of publication	<i>N</i>-{3-[2-(4-Fluorophenoxy)ethyl]-2,4-dioxo-1,3-diazaspiro[4.5]decan-7-yl}-4-methylbenzamide
Authors of publication	Vinduvahini, M.; Saha, Binoy Krishna; Mahalakhmi; Revanasiddappa, H. D.; Devarajegowda, H. C.
Journal of publication	Acta Crystallographica Section E
Year of publication	2011
Journal volume	67
Journal issue	6
Pages of publication	o1440 - o1441
a	9.1436 ± 0.0017 Å
b	10.103 ± 0.002 Å
c	13.939 ± 0.002 Å
α	99.239 ± 0.015°
β	106.55 ± 0.014°
γ	107.417 ± 0.018°
Cell volume	1134.4 ± 0.4 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	0.1021
Residual factor for significantly intense reflections	0.0515
Weighted residual factors for significantly intense reflections	0.1207
Weighted residual factors for all reflections included in the refinement	0.1347
Goodness-of-fit parameter for all reflections included in the refinement	0.897
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

Version history

Revision	Date	Message	Files
181227 (current)	2016-04-03	hkl/2/23/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23/05.	2230521.cif 2230521.hkl
176798	2016-02-21	cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23.	2230521.cif 2230521.hkl
120072	2014-07-11	Adding DOIs to range 2 structures.	2230521.cif 2230521.hkl
88064	2013-08-29	Adding _cod_database_fobs_code data item to all COD CIFs that have Fobs deposited and did not have this data item yet.	2230521.cif 2230521.hkl
26848	2011-09-28	cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree.	2230521.cif 2230521.hkl
22560	2011-07-04	hkl/ Adding Fobs files for the recent IUCr data deposition.	2230521.cif 2230521.hkl
22514	2011-07-04	../uploads/cif-deposit/cod/cif Adding structures of 2230521 via cif-deposit CGI script.	2230521.cif