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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

Christian Robl

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

Publication History

Published Online:
2010-08-25

Abstract

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, Mo, 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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[1]
Ersin Orhan, Amine Garci, and Bruno Therrien
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[2]
Lynne H. Thomas, Martin S. Adam, Andrew O'Neill, and Chick C. Wilson
Acta Crystallographica Section C Crystal Structure Communications, 2013, Volume 69, Number 11, Page 1279
[3]
Sachio Horiuchi, Reiji Kumai, and Yoshinori Tokura
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[4]
Krešimir Molčanov and Biserka Kojić-Prodić
Acta Crystallographica Section B Structural Science, 2012, Volume 68, Number 1, Page 57
[6]
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