Crystallography Open Database

Information card for entry 2011323

2011322 << 2011323 >> 2011324

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Coordinates	2011323.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	3-chloro-3-phenyl-2,2-dihydroxypropanamide
Formula	C9 H10 Cl N O3
Calculated formula	C9 H10 Cl N O3
SMILES	ClC(c1ccccc1)C(O)(O)C(=O)N
Title of publication	From α-carbamoyl-α-cyanooxiranes to 3-halogenopyruvamides
Authors of publication	Lah, Nina; Leban, Ivan; Majcen-Le Maréchal, Alenka; Le Grel, Philippe; Robert, Albert; Sieler, Joachim; Giester, Gerald
Journal of publication	Acta Crystallographica Section C
Year of publication	2000
Journal volume	56
Journal issue	9
Pages of publication	1164 - 1167
a	5.526 ± 0.001 Å
b	29.989 ± 0.006 Å
c	5.997 ± 0.001 Å
α	90°
β	107.96 ± 0.03°
γ	90°
Cell volume	945.4 ± 0.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	9
Hermann-Mauguin space group symbol	C 1 c 1
Hall space group symbol	C -2yc
Residual factor for all reflections	0.0344
Residual factor for significantly intense reflections	0.0278
Weighted residual factors for all reflections included in the refinement	0.0634
Goodness-of-fit parameter for all reflections included in the refinement	1.006
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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