(6Z)-4-Bromo-6-{[(2-hydroxyethyl)amino]methylidene}cyclohexa-2,4-dien-1-one
作者： Shaaban K. Mohamed , Mehmet Akkurt , Antar A. Abd Elhamid , Kuldip Singh , Herman Potgieter
DOI: 10.1107/S1600536812009749
关键词: Maximum deviation 、 HEXA 、 Medicinal chemistry 、 Hydrogen bond 、 Crystal 、 Chemistry 、 Bioinformatics 、 Dihedral angle
摘要: The title molecule, C9H10BrNO2, excluding methylene H atoms and the C—OH group, is essentially planar, with a maximum deviation of 0.037 (2) Å for the N atom. The N—C—C—O torsion angle is −63.1 (3)°. The molecular structure is stabilized by a weak intramolecular N—H...O(carbonyl) hydrogen bond, forming anS(6) motif. In the crystal, molecules are linked by O—H...O and C—H...O hydrogen bonds, forming a three-dimensional network.
sci-hub.se 参考文章(11)
G. Lukacs, M. Ohno, Recent Progress in the Chemical Synthesis of Antibiotics ,(1990)
M. C. Etter, J. C. MacDonald, J. Bernstein, Graph-set analysis of hydrogen-bond patterns in organic crystals Acta Crystallographica Section B-structural Science. ,vol. 46, pp. 256- 262 ,(1990) , 10.1107/S0108768189012929
Serkan Erdemir, Synthesis of novel chiral Schiff base and amino alcohol derivatives of calix[4]arene and chiral recognition properties Journal of Molecular Structure. ,vol. 1007, pp. 235- 241 ,(2012) , 10.1016/J.MOLSTRUC.2011.10.053
Joel Bernstein, Raymond E. Davis, Liat Shimoni, Ning-Leh Chang, Patterns in Hydrogen Bonding: Functionality and Graph Set Analysis in Crystals Angewandte Chemie. ,vol. 34, pp. 1555- 1573 ,(1995) , 10.1002/ANIE.199515551
RAJAN DEEPAN CHAKRAVARTHY, DILLIP KUMAR CHAND, Synthesis, structure and applications of [cis-dioxomolybdenum(VI)-(ONO)] type complexes Journal of Chemical Sciences. ,vol. 123, pp. 187- 199 ,(2011) , 10.1007/S12039-011-0112-5
L. J. Farrugia, ORTEP-3 for Windows - a version of ORTEP-III with a Graphical User Interface (GUI) Journal of Applied Crystallography. ,vol. 30, pp. 565- 565 ,(1997) , 10.1107/S0021889897003117
Louis J. Farrugia, WinGX suite for small-molecule single-crystal crystallography Journal of Applied Crystallography. ,vol. 32, pp. 837- 838 ,(1999) , 10.1107/S0021889899006020
George M. Sheldrick, A short history of SHELX Acta Crystallographica Section A. ,vol. 64, pp. 112- 122 ,(2008) , 10.1107/S0108767307043930
Anthony L. Spek, Structure validation in chemical crystallography Acta Crystallographica Section D-biological Crystallography. ,vol. 65, pp. 148- 155 ,(2009) , 10.1107/S090744490804362X
Frank H. Allen, Olga Kennard, David G. Watson, Lee Brammer, A. Guy Orpen, Robin Taylor, Tables of bond lengths determined by X-ray and neutron diffraction. Part 1. Bond lengths in organic compounds Journal of The Chemical Society-perkin Transactions 1. ,(1987) , 10.1039/P298700000S1