2,4,6-Trinitrophenyl benzoate

Rodolfo Moreno-Fuquen; Fabricio Mosquera; Alan R. Kennedy; Catriona A. Morrison; Regina H. De Almeida Santos

doi:10.1107/S1600536812048362

2,4,6-Trinitrophenyl benzoate

Rodolfo Moreno-Fuquen, Fabricio Mosquera, Alan R. Kennedy, Catriona A. Morrison, Regina H. De Almeida Santos

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

4 Citations (Scopus)

Abstract

In the title molecule, C13H7N3O8, the phenyl and benzene rings are rotated from the mean plane of the central ester group by 18.41 (9) and 81.80 (5), respectively. The dihedral angle between the rings is 80.12 (14). In the crystal, molecules are linked by weak C—H O interactions, forming helical chains along [010].

Original language	English
Article number	o3493
Number of pages	8
Journal	Acta Crystallographica Section E: Structure Reports
Volume	68
Issue number	12
DOIs	https://doi.org/10.1107/S1600536812048362
Publication status	Published - 1 Dec 2012

Keywords

crystallography
benzene ring
phenyl
dihedral angles

Access to Document

10.1107/S1600536812048362

Cite this

@article{86c26a72446f4042bfa30591ee4e59b8,

title = "2,4,6-Trinitrophenyl benzoate",

abstract = "In the title molecule, C13H7N3O8, the phenyl and benzene rings are rotated from the mean plane of the central ester group by 18.41 (9) and 81.80 (5), respectively. The dihedral angle between the rings is 80.12 (14). In the crystal, molecules are linked by weak C—H O interactions, forming helical chains along [010].",

keywords = "crystallography, benzene ring, phenyl, dihedral angles",

author = "Rodolfo Moreno-Fuquen and Fabricio Mosquera and Kennedy, {Alan R.} and Morrison, {Catriona A.} and {De Almeida Santos}, {Regina H.}",

year = "2012",

month = dec,

day = "1",

doi = "10.1107/S1600536812048362",

language = "English",

volume = "68",

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

number = "12",

}

TY - JOUR

T1 - 2,4,6-Trinitrophenyl benzoate

AU - Moreno-Fuquen, Rodolfo

AU - Mosquera, Fabricio

AU - Kennedy, Alan R.

AU - Morrison, Catriona A.

AU - De Almeida Santos, Regina H.

PY - 2012/12/1

Y1 - 2012/12/1

N2 - In the title molecule, C13H7N3O8, the phenyl and benzene rings are rotated from the mean plane of the central ester group by 18.41 (9) and 81.80 (5), respectively. The dihedral angle between the rings is 80.12 (14). In the crystal, molecules are linked by weak C—H O interactions, forming helical chains along [010].

AB - In the title molecule, C13H7N3O8, the phenyl and benzene rings are rotated from the mean plane of the central ester group by 18.41 (9) and 81.80 (5), respectively. The dihedral angle between the rings is 80.12 (14). In the crystal, molecules are linked by weak C—H O interactions, forming helical chains along [010].

KW - crystallography

KW - benzene ring

KW - phenyl

KW - dihedral angles

UR - http://www.scopus.com/inward/record.url?scp=84870906741&partnerID=8YFLogxK

U2 - 10.1107/S1600536812048362

DO - 10.1107/S1600536812048362

M3 - Article

VL - 68

JO - Acta Crystallographica Section E: Structure Reports

JF - Acta Crystallographica Section E: Structure Reports

IS - 12

M1 - o3493

ER -

2,4,6-Trinitrophenyl benzoate

Abstract

Keywords

Access to Document

Other files and links

Fingerprint

Physical Organic Chemistry: Opportunities In Synthesis, Materials And Pharmaceuticals (Science And Innovation Award)

x-ray diffractometer

Cite this

2,4,6-Trinitrophenyl benzoate

Abstract

Keywords

Access to Document

Other files and links

Fingerprint

Projects

Physical Organic Chemistry: Opportunities In Synthesis, Materials And Pharmaceuticals (Science And Innovation Award)

Equipment

x-ray diffractometer

Cite this