Crystallography Open Database

Information card for entry 2000630

2000629 << 2000630 >> 2000631

Preview

Coordinates	2000630.cif
Original IUCr paper	HTML

Structure parameters

Formula	C8 H5 N O2
Calculated formula	C8 H5 N O2
SMILES	O=C1NC(=O)c2c1cccc2
Title of publication	Structure of 1<i>H</i>-isoindole-1,3(2<i>H</i>)-dione (phthalimide)
Authors of publication	Ng, S. W.
Journal of publication	Acta Crystallographica Section C
Year of publication	1992
Journal volume	48
Journal issue	9
Pages of publication	1694 - 1695
a	3.8036 ± 0.0007 Å
b	7.643 ± 0.001 Å
c	22.818 ± 0.005 Å
α	90°
β	91.36°
γ	90°
Cell volume	663.2 ± 0.2 Å³
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
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	Mo
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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