Methyl 2,6-bis-[(5-chloro-4,6-dimethoxypyrimidin-2-yl)oxy]benzoate

Hoong Kun Fun, Jia Hao Goh, Sankappa Rai, Arun M. Isloor, Prakash Shetty

Research output: Contribution to journalArticle

1 Citation (Scopus)

Abstract

In the title compound, C20H18Cl2N 4O8, the two pyrimidine rings are inclined at dihedral angles of 66.68 (5) and 71.91 (6)° with respect to the central benzene ring. In the crystal structure, inter-molecular C-H⋯N hydrogen bonds link neighbouring molecules into a ribbon-like structure along the b axis. The ribbons are inter-connected into a two-dimensional network parallel to the bc plane by short inter-molecular Cl⋯Cl [3.4427 (6) Å] and Cl⋯O [3.1420 (9) and 3.1750 (11) Å] inter-actions. The crystal structure is further stabilized by inter-molecular π-π inter-actions [centroid-centroid distance 3.4552 (8) Å] involving the pyrimidine rings.

Original languageEnglish
JournalActa Crystallographica Section E: Structure Reports Online
Volume66
Issue number7
DOIs
Publication statusPublished - 14-07-2010

Fingerprint

Benzoates
Crystal structure
pyrimidines
centroids
ribbons
rings
Dihedral angle
Benzene
Hydrogen bonds
crystal structure
Molecules
dihedral angle
benzene
hydrogen bonds
pyrimidine
molecules

All Science Journal Classification (ASJC) codes

  • Chemistry(all)
  • Materials Science(all)
  • Condensed Matter Physics

Cite this

Fun, Hoong Kun ; Goh, Jia Hao ; Rai, Sankappa ; Isloor, Arun M. ; Shetty, Prakash. / Methyl 2,6-bis-[(5-chloro-4,6-dimethoxypyrimidin-2-yl)oxy]benzoate. In: Acta Crystallographica Section E: Structure Reports Online. 2010 ; Vol. 66, No. 7.
@article{e2397914acff4e41b135ce97dcc770f5,
title = "Methyl 2,6-bis-[(5-chloro-4,6-dimethoxypyrimidin-2-yl)oxy]benzoate",
abstract = "In the title compound, C20H18Cl2N 4O8, the two pyrimidine rings are inclined at dihedral angles of 66.68 (5) and 71.91 (6)° with respect to the central benzene ring. In the crystal structure, inter-molecular C-H⋯N hydrogen bonds link neighbouring molecules into a ribbon-like structure along the b axis. The ribbons are inter-connected into a two-dimensional network parallel to the bc plane by short inter-molecular Cl⋯Cl [3.4427 (6) {\AA}] and Cl⋯O [3.1420 (9) and 3.1750 (11) {\AA}] inter-actions. The crystal structure is further stabilized by inter-molecular π-π inter-actions [centroid-centroid distance 3.4552 (8) {\AA}] involving the pyrimidine rings.",
author = "Fun, {Hoong Kun} and Goh, {Jia Hao} and Sankappa Rai and Isloor, {Arun M.} and Prakash Shetty",
year = "2010",
month = "7",
day = "14",
doi = "10.1107/S1600536810024785",
language = "English",
volume = "66",
journal = "Acta Crystallographica Section E: Structure Reports Online",
issn = "1600-5368",
publisher = "International Union of Crystallography",
number = "7",

}

Methyl 2,6-bis-[(5-chloro-4,6-dimethoxypyrimidin-2-yl)oxy]benzoate. / Fun, Hoong Kun; Goh, Jia Hao; Rai, Sankappa; Isloor, Arun M.; Shetty, Prakash.

In: Acta Crystallographica Section E: Structure Reports Online, Vol. 66, No. 7, 14.07.2010.

Research output: Contribution to journalArticle

TY - JOUR

T1 - Methyl 2,6-bis-[(5-chloro-4,6-dimethoxypyrimidin-2-yl)oxy]benzoate

AU - Fun, Hoong Kun

AU - Goh, Jia Hao

AU - Rai, Sankappa

AU - Isloor, Arun M.

AU - Shetty, Prakash

PY - 2010/7/14

Y1 - 2010/7/14

N2 - In the title compound, C20H18Cl2N 4O8, the two pyrimidine rings are inclined at dihedral angles of 66.68 (5) and 71.91 (6)° with respect to the central benzene ring. In the crystal structure, inter-molecular C-H⋯N hydrogen bonds link neighbouring molecules into a ribbon-like structure along the b axis. The ribbons are inter-connected into a two-dimensional network parallel to the bc plane by short inter-molecular Cl⋯Cl [3.4427 (6) Å] and Cl⋯O [3.1420 (9) and 3.1750 (11) Å] inter-actions. The crystal structure is further stabilized by inter-molecular π-π inter-actions [centroid-centroid distance 3.4552 (8) Å] involving the pyrimidine rings.

AB - In the title compound, C20H18Cl2N 4O8, the two pyrimidine rings are inclined at dihedral angles of 66.68 (5) and 71.91 (6)° with respect to the central benzene ring. In the crystal structure, inter-molecular C-H⋯N hydrogen bonds link neighbouring molecules into a ribbon-like structure along the b axis. The ribbons are inter-connected into a two-dimensional network parallel to the bc plane by short inter-molecular Cl⋯Cl [3.4427 (6) Å] and Cl⋯O [3.1420 (9) and 3.1750 (11) Å] inter-actions. The crystal structure is further stabilized by inter-molecular π-π inter-actions [centroid-centroid distance 3.4552 (8) Å] involving the pyrimidine rings.

UR - http://www.scopus.com/inward/record.url?scp=77954415117&partnerID=8YFLogxK

UR - http://www.scopus.com/inward/citedby.url?scp=77954415117&partnerID=8YFLogxK

U2 - 10.1107/S1600536810024785

DO - 10.1107/S1600536810024785

M3 - Article

AN - SCOPUS:77954415117

VL - 66

JO - Acta Crystallographica Section E: Structure Reports Online

JF - Acta Crystallographica Section E: Structure Reports Online

SN - 1600-5368

IS - 7

ER -