Crystallography Open Database

Information card for entry 7246883

Preview

Coordinates	7246883.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C10 H11 N3 O5
Calculated formula	C10 H11 N3 O5
SMILES	C1(=O)NC(C(=O)N1)(c1cc(ccc1)N(=O)=O)C.O
Title of publication	Exploring the supramolecular profile of 5-phenylhydantoins
Authors of publication	Lazić, Anita; Radovanović, Lidija; Rogan, Jelena; Valentić, Nataša; Janjić, Goran; Đorđević, Ivana; Trišović, Nemanja
Journal of publication	CrystEngComm
Year of publication	2023
Journal volume	25
Journal issue	25
Pages of publication	3637 - 3654
a	6.8817 ± 0.0014 Å
b	8.3267 ± 0.0017 Å
c	10.789 ± 0.002 Å
α	83.96 ± 0.03°
β	76.71 ± 0.03°
γ	70.02 ± 0.03°
Cell volume	565.2 ± 0.2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0592
Residual factor for significantly intense reflections	0.0432
Weighted residual factors for significantly intense reflections	0.0978
Weighted residual factors for all reflections included in the refinement	0.1058
Goodness-of-fit parameter for all reflections included in the refinement	1.031
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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