Crystallography Open Database

Information card for entry 2003755

2003754 << 2003755 >> 2003756

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Original IUCr paper	HTML

Structure parameters

Chemical name	3-(3-Nitroanilino)cyclohex-2-en-1-one
Formula	C12 H12 N2 O3
Calculated formula	C12 H12 N2 O3
Title of publication	3-(3-Nitroanilino)cyclohex-2-en-1-one: an Unexpected Product from the Co-Crystallization of <i>m</i>-Nitroaniline with 1,3-Cyclohexanedione
Authors of publication	Huang, K.-S.; Britton, D.; Etter, M. C.
Journal of publication	Acta Crystallographica Section C
Year of publication	1995
Journal volume	51
Journal issue	8
Pages of publication	1661 - 1663
a	7.312 ± 0.003 Å
b	8.349 ± 0.004 Å
c	10.358 ± 0.002 Å
α	98.82 ± 0.03°
β	96.98 ± 0.03°
γ	114.7 ± 0.04°
Cell volume	555.4 ± 0.4 Å³
Cell temperature	297 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 significantly intense reflections	0.062
Weighted residual factors for significantly intense reflections	0.079
Goodness-of-fit parameter for significantly intense reflections	2.15
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

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