Methyl 2,6-bis-[(5-bromo-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

2 Citations (Scopus)

Abstract

In the title compound, C20H18Br2N 4O8, the inter-planar angle of the pyrimidine rings is 75.1 (2)°. The central benzene ring is inclined at inter-planar angles of 66.5 (2) and 71.9 (2)° with respect to the two pyrimidine rings. In the crystal structure, adjacent molecules are connected into two-molecule-thick arrays parallel to the bc plane via short Br⋯Br [3.5328 (12) Å] and Br⋯O [3.206 (3) and 3.301 (4) Å] inter-actions. A weak inter-molecular π-π aromatic stacking inter-action [centroid-centroid distance = 3.526 (3) Å] is also observed.

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

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Benzoates
pyrimidines
centroids
Molecules
rings
Benzene
Crystal structure
molecules
benzene
crystal structure
pyrimidine

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-bromo-4,6-dimethoxypyrimidin-2-yl)oxy]benzoate. In: Acta Crystallographica Section E: Structure Reports Online. 2010 ; Vol. 66, No. 7.
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title = "Methyl 2,6-bis-[(5-bromo-4,6-dimethoxypyrimidin-2-yl)oxy]benzoate",
abstract = "In the title compound, C20H18Br2N 4O8, the inter-planar angle of the pyrimidine rings is 75.1 (2)°. The central benzene ring is inclined at inter-planar angles of 66.5 (2) and 71.9 (2)° with respect to the two pyrimidine rings. In the crystal structure, adjacent molecules are connected into two-molecule-thick arrays parallel to the bc plane via short Br⋯Br [3.5328 (12) {\AA}] and Br⋯O [3.206 (3) and 3.301 (4) {\AA}] inter-actions. A weak inter-molecular π-π aromatic stacking inter-action [centroid-centroid distance = 3.526 (3) {\AA}] is also observed.",
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Methyl 2,6-bis-[(5-bromo-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-bromo-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, C20H18Br2N 4O8, the inter-planar angle of the pyrimidine rings is 75.1 (2)°. The central benzene ring is inclined at inter-planar angles of 66.5 (2) and 71.9 (2)° with respect to the two pyrimidine rings. In the crystal structure, adjacent molecules are connected into two-molecule-thick arrays parallel to the bc plane via short Br⋯Br [3.5328 (12) Å] and Br⋯O [3.206 (3) and 3.301 (4) Å] inter-actions. A weak inter-molecular π-π aromatic stacking inter-action [centroid-centroid distance = 3.526 (3) Å] is also observed.

AB - In the title compound, C20H18Br2N 4O8, the inter-planar angle of the pyrimidine rings is 75.1 (2)°. The central benzene ring is inclined at inter-planar angles of 66.5 (2) and 71.9 (2)° with respect to the two pyrimidine rings. In the crystal structure, adjacent molecules are connected into two-molecule-thick arrays parallel to the bc plane via short Br⋯Br [3.5328 (12) Å] and Br⋯O [3.206 (3) and 3.301 (4) Å] inter-actions. A weak inter-molecular π-π aromatic stacking inter-action [centroid-centroid distance = 3.526 (3) Å] is also observed.

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U2 - 10.1107/S1600536810024724

DO - 10.1107/S1600536810024724

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JO - Acta Crystallographica Section E: Structure Reports Online

JF - Acta Crystallographica Section E: Structure Reports Online

SN - 1600-5368

IS - 7

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