Crystallography Open Database

Information card for entry 2009635

2009634 << 2009635 >> 2009636

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Coordinates	2009635.cif
Original IUCr paper	HTML

Structure parameters

Formula	C17 H15 N O3
Calculated formula	C17 H15 N O3
SMILES	O=C1N(Cc2c1cccc2)c1ccc(cc1)C(C)C(=O)O
Title of publication	Non-steroidal anti-inflammatory drugs. III. Structure of indoprofen: 2-[4-(1-oxo-2-isoindolinyl)phenyl]propionic acid
Authors of publication	Ravikumar, K.
Journal of publication	Acta Crystallographica Section C
Year of publication	1994
Journal volume	50
Journal issue	4
Pages of publication	589 - 592
a	6.029 ± 0.001 Å
b	7.708 ± 0.001 Å
c	30.468 ± 0.005 Å
α	90°
β	94.84 ± 0.02°
γ	90°
Cell volume	1410.8 ± 0.4 Å³
Cell temperature	293 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 for significantly intense reflections	0.062
Weighted residual factors for significantly intense reflections	0.069
Goodness-of-fit parameter for significantly intense reflections	1.08
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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