Crystallography Open Database

Information card for entry 2020573

2020572 << 2020573 >> 2020574

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Structure parameters

Chemical name	1,3-Bis(3-fluorophenyl)urea
Formula	C13 H10 F2 N2 O
Calculated formula	C13 H10 F2 N2 O
Title of publication	Concomitant polymorphs of 1,3-bis(3-fluorophenyl)urea
Authors of publication	Capacci-Daniel, Christina A.; Bertke, Jeffery A.; Dehghan, Shoaleh; Hiremath-Darji, Rupa; Swift, Jennifer A.
Journal of publication	Acta Crystallographica Section C
Year of publication	2016
Journal volume	72
Journal issue	9
a	20.6614 ± 0.0019 Å
b	12.6052 ± 0.0011 Å
c	9.1691 ± 0.0009 Å
α	90°
β	109.284 ± 0.009°
γ	90°
Cell volume	2254 ± 0.4 Å³
Cell temperature	110 ± 2 K
Ambient diffraction temperature	110 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0827
Residual factor for significantly intense reflections	0.0542
Weighted residual factors for significantly intense reflections	0.1277
Weighted residual factors for all reflections included in the refinement	0.1452
Goodness-of-fit parameter for all reflections included in the refinement	1.127
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	Yes

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