Crystallography Open Database

Information card for entry 7224964

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Structure parameters

Formula	C18 H16 Br2 N4 O4
Calculated formula	C18 H16 Br2 N4 O4
Title of publication	Halogen bonding of N-bromosuccinimide by grinding
Authors of publication	Mavračić, Juraj; Cinčić, Dominik; Kaitner, Branko
Journal of publication	CrystEngComm
Year of publication	2016
Journal volume	18
Journal issue	19
Pages of publication	3343
a	24.013 ± 0.001 Å
b	4.8573 ± 0.0002 Å
c	18.3684 ± 0.0007 Å
α	90°
β	110.975 ± 0.004°
γ	90°
Cell volume	2000.49 ± 0.15 Å³
Cell temperature	295 K
Ambient diffraction temperature	295 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0968
Residual factor for significantly intense reflections	0.0328
Weighted residual factors for significantly intense reflections	0.0482
Weighted residual factors for all reflections included in the refinement	0.0522
Goodness-of-fit parameter for all reflections included in the refinement	0.705
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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