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3-Nitro-2-phenyl­chroman

Authors
Journal
Acta Crystallographica Section E Structure Reports Online
1600-5368
Publisher
International Union of Crystallography
Publication Date
Volume
68
Issue
6
Identifiers
DOI: 10.1107/s1600536812020806
Keywords
  • Organic Papers
Disciplines
  • Pharmacology

Abstract

Related literature For pharmaceutical and synthetic applications of compounds with a benzopyran framework, see: Horton et al. (2003 ▶); Murugesh et al. (1996 ▶); Engler et al. (1990 ▶). Experimental Crystal data C15H13NO3 M r = 255.26Triclinic, a = 5.3769 (11) Å b = 10.105 (2) Å c = 12.320 (3) Åα = 70.85 (3)°β = 82.89 (3)°γ = 84.87 (3)° V = 626.6 (2) Å3 Z = 2Mo Kα radiationμ = 0.10 mm−1 T = 293 K0.20 × 0.20 × 0.10 mm Data collection Rigaku Saturn diffractometerAbsorption correction: multi-scan (CrystalClear; Rigaku/MSC, 2005 ▶) T min = 0.981, T max = 0.9915249 measured reflections2205 independent reflections912 reflections with I > 2σ(I) R int = 0.053 Refinement R[F 2 > 2σ(F 2)] = 0.055 wR(F 2) = 0.152 S = 1.072205 reflections172 parametersH-atom parameters constrainedΔρmax = 0.47 e Å−3 Δρmin = −0.31 e Å−3 Data collection: CrystalClear (Rigaku/MSC, 2005 ▶); cell refinement: CrystalClear; data reduction: CrystalClear; program(s) used to solve structure: SHELXS97 (Sheldrick, 2008 ▶); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008 ▶); molecular graphics: SHELXTL (Sheldrick, 2008 ▶); software used to prepare material for publication: SHELXTL. Supplementary Material Crystal structure: contains datablock(s) global, I. DOI: 10.1107/S1600536812020806/tk5093sup1.cif Structure factors: contains datablock(s) I. DOI: 10.1107/S1600536812020806/tk5093Isup2.hkl Supplementary material file. DOI: 10.1107/S1600536812020806/tk5093Isup3.cml Additional supplementary materials: crystallographic information; 3D view; checkCIF report This work was supported financially by the Start-up Foundation of North University of China and the Youth Foundation of Nor

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