Redetermination of 4-nitrostilbene

R. Moreno-Fuquen, L. Aguirre, A.R. Kennedy

Research output: Contribution to journalArticle

2 Citations (Scopus)

Abstract

In the title compound, C14H11NO2, the benzene rings are inclined to each other with a dihedral angle between their mean planes of 8.42 (6)°. The nitro group is almost coplanar with the attached benzene ring but is rotated about the C-N bond by 5.84 (12)°. This redetermination results in a crystal structure with significantly higher precision than the original determination [Hertel & Romer (1931). Z. Kristallogr. 76, 467-469], and the intermolecular interactions have been established. In the crystal structure, molecules are linked by C-HO hydrogen bonds to generate C(5), C(13) and edge-fused R33(28) rings.
LanguageEnglish
PagesO2259-U1605
JournalActa Crystallographica Section E: Structure Reports
Volume64
DOIs
Publication statusPublished - Dec 2008

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Benzene
Crystal structure
rings
Dihedral angle
benzene
Hydrogen bonds
crystal structure
Molecules
dihedral angle
hydrogen bonds
molecules
interactions

Keywords

  • single-crystal X-ray study
  • T = 123 K
  • mean (C–C) = 0.002 A°
  • R factor = 0.048
  • wR factor = 0.135
  • data-to-parameter ratio = 20.6.

Cite this

Moreno-Fuquen, R. ; Aguirre, L. ; Kennedy, A.R. / Redetermination of 4-nitrostilbene. In: Acta Crystallographica Section E: Structure Reports. 2008 ; Vol. 64. pp. O2259-U1605.
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Redetermination of 4-nitrostilbene. / Moreno-Fuquen, R.; Aguirre, L.; Kennedy, A.R.

In: Acta Crystallographica Section E: Structure Reports, Vol. 64, 12.2008, p. O2259-U1605.

Research output: Contribution to journalArticle

TY - JOUR

T1 - Redetermination of 4-nitrostilbene

AU - Moreno-Fuquen, R.

AU - Aguirre, L.

AU - Kennedy, A.R.

PY - 2008/12

Y1 - 2008/12

N2 - In the title compound, C14H11NO2, the benzene rings are inclined to each other with a dihedral angle between their mean planes of 8.42 (6)°. The nitro group is almost coplanar with the attached benzene ring but is rotated about the C-N bond by 5.84 (12)°. This redetermination results in a crystal structure with significantly higher precision than the original determination [Hertel & Romer (1931). Z. Kristallogr. 76, 467-469], and the intermolecular interactions have been established. In the crystal structure, molecules are linked by C-HO hydrogen bonds to generate C(5), C(13) and edge-fused R33(28) rings.

AB - In the title compound, C14H11NO2, the benzene rings are inclined to each other with a dihedral angle between their mean planes of 8.42 (6)°. The nitro group is almost coplanar with the attached benzene ring but is rotated about the C-N bond by 5.84 (12)°. This redetermination results in a crystal structure with significantly higher precision than the original determination [Hertel & Romer (1931). Z. Kristallogr. 76, 467-469], and the intermolecular interactions have been established. In the crystal structure, molecules are linked by C-HO hydrogen bonds to generate C(5), C(13) and edge-fused R33(28) rings.

KW - single-crystal X-ray study

KW - T = 123 K

KW - mean (C–C) = 0.002 A°

KW - R factor = 0.048

KW - wR factor = 0.135

KW - data-to-parameter ratio = 20.6.

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DO - 10.1107/S1600536808035459

M3 - Article

VL - 64

SP - O2259-U1605

JO - Acta Crystallographica Section E: Structure Reports

T2 - Acta Crystallographica Section E: Structure Reports

JF - Acta Crystallographica Section E: Structure Reports

SN - 1600-5368

ER -