Crystallography Open Database

Information card for entry 2004375

2004374 << 2004375 >> 2004376

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Coordinates	2004375.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	1-Bromo-2,7-dimethylnaphthalene
Formula	C12 H11 Br
Calculated formula	C12 H11 Br
SMILES	Cc1ccc2c(c1)c(Br)c(cc2)C
Title of publication	1-Bromo-2,7-dimethylnaphthalene
Authors of publication	Brown, L. A.; Laxman, R. K.; Maverick, A. W.; Fronczek, F. R.
Journal of publication	Acta Crystallographica Section C
Year of publication	1996
Journal volume	52
Journal issue	1
Pages of publication	95 - 97
a	7.179 ± 0.0004 Å
b	7.819 ± 0.0004 Å
c	17.987 ± 0.002 Å
α	90°
β	92.44 ± 0.01°
γ	90°
Cell volume	1008.74 ± 0.14 Å³
Cell temperature	295 K
Number of distinct elements	3
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for significantly intense reflections	0.058
Weighted residual factors for significantly intense reflections	0.042
Goodness-of-fit parameter for significantly intense reflections	1.657
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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