Zeitschrift für Kristallographie - Crystalline Materials
Editor-in-Chief: Pöttgen, Rainer
Ed. by Antipov, Evgeny / Bismayer, Ulrich / Boldyreva, Elena V. / Huppertz, Hubert / Petrícek, Václav / Tiekink, E. R. T.
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Hydrogen bonding and crystal structure refinement of bromanilic acid
Citation Information: Zeitschrift für Kristallographie. Volume 180, Issue 1-4, Pages 249–253, ISSN (Online) 0044-2968, ISSN (Print) 1433-7266, DOI: 10.1524/zkri.1987.180.1-4.249, August 2010
- Published Online:
C6Br2O4H2, bromanilic acid, Mr = 297.89, monoclinic, P21/n, a = 803.6(2) pm, b = 548.0(1) pm, c = 895.2(2) pm, β = 99.43(2)°, V = 388.9 · 106 pm3, Z = 2, Dx = 2.54 g/cm3, Dm = 2.53 g/cm3, MoKα, γ = 71.07 pm, μ = 101.66 cm−1, F(000) = 280, T = 293 K, R = 2.66%, Rw = 2.60%, Rg = 3.02% for 706 used unique reflections. The structure was refined by least-squares methods using single crystal X-ray diffractometer data. The molecules of C6Br2O4H2 are interlinked by intermolecular hydrogen bonds to infinite, puckered layers.
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