2,4,6-Trinitrophenyl furan-2-carboxylate

Rodolfo Moreno-Fuquen; Fabricio Mosquera; Alan R Kennedy

doi:10.1107/S1600536813028274

2,4,6-Trinitrophenyl furan-2-carboxylate

Rodolfo Moreno-Fuquen, Fabricio Mosquera, Alan R Kennedy

Pure And Applied Chemistry

Research output: Contribution to journal › Article › peer-review

2 Citations (Scopus)

Abstract

In the title carboxyl-ate derivative, C11H5N3O9, the picryl ring forms an angle of 75.79 (7)° with the ester fragment, indicating a near perpendicular disposition. The nitro substituents are variously oriented with respect to the picryl ring [dihedral angles = 3.22 (10), 16.03 (12) and 36.63 (10)°]. In the crystal, mol-ecules form helical chains sustained by C-H⋯O inter-actions along [010]. The furanyl residue is disordered, having two coplanar slightly displaced orientations [major component = 0.730 (9)].

Original language	English
Article number	o1682
Number of pages	1
Journal	Acta Crystallographica Section E: Structure Reports
Volume	69
Issue number	11
DOIs	https://doi.org/10.1107/S1600536813028274
Publication status	Published - 23 Oct 2013

Keywords

crystals
molecules
picryl ring

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10.1107/S1600536813028274

x-ray diffractometer
Alan Kennedy
Pure And Applied Chemistry
Facility/equipment: Equipment

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title = "2,4,6-Trinitrophenyl furan-2-carboxylate",

abstract = "In the title carboxyl-ate derivative, C11H5N3O9, the picryl ring forms an angle of 75.79 (7)° with the ester fragment, indicating a near perpendicular disposition. The nitro substituents are variously oriented with respect to the picryl ring [dihedral angles = 3.22 (10), 16.03 (12) and 36.63 (10)°]. In the crystal, mol-ecules form helical chains sustained by C-H⋯O inter-actions along [010]. The furanyl residue is disordered, having two coplanar slightly displaced orientations [major component = 0.730 (9)].",

keywords = "crystals, molecules, picryl ring",

author = "Rodolfo Moreno-Fuquen and Fabricio Mosquera and Kennedy, {Alan R}",

year = "2013",

month = oct,

day = "23",

doi = "10.1107/S1600536813028274",

language = "English",

volume = "69",

journal = "Acta Crystallographica Section E: Structure Reports",

issn = "1600-5368",

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TY - JOUR

T1 - 2,4,6-Trinitrophenyl furan-2-carboxylate

AU - Moreno-Fuquen, Rodolfo

AU - Mosquera, Fabricio

AU - Kennedy, Alan R

PY - 2013/10/23

Y1 - 2013/10/23

N2 - In the title carboxyl-ate derivative, C11H5N3O9, the picryl ring forms an angle of 75.79 (7)° with the ester fragment, indicating a near perpendicular disposition. The nitro substituents are variously oriented with respect to the picryl ring [dihedral angles = 3.22 (10), 16.03 (12) and 36.63 (10)°]. In the crystal, mol-ecules form helical chains sustained by C-H⋯O inter-actions along [010]. The furanyl residue is disordered, having two coplanar slightly displaced orientations [major component = 0.730 (9)].

AB - In the title carboxyl-ate derivative, C11H5N3O9, the picryl ring forms an angle of 75.79 (7)° with the ester fragment, indicating a near perpendicular disposition. The nitro substituents are variously oriented with respect to the picryl ring [dihedral angles = 3.22 (10), 16.03 (12) and 36.63 (10)°]. In the crystal, mol-ecules form helical chains sustained by C-H⋯O inter-actions along [010]. The furanyl residue is disordered, having two coplanar slightly displaced orientations [major component = 0.730 (9)].

KW - crystals

KW - molecules

KW - picryl ring

U2 - 10.1107/S1600536813028274

DO - 10.1107/S1600536813028274

M3 - Article

C2 - 24454113

VL - 69

JO - Acta Crystallographica Section E: Structure Reports

JF - Acta Crystallographica Section E: Structure Reports

SN - 1600-5368

IS - 11

M1 - o1682

ER -

2,4,6-Trinitrophenyl furan-2-carboxylate

Abstract

Keywords

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