Methyl 4-[(pyrimidin-2-yl)carbamoyl]benzoate

Lu, Chun-Hsiang; Wu, Ching-Chou; Yeh, Chun‐Wei; Hu, Huiling; Chen, Jhy‐Der

doi:10.1107/s1600536811025190

Acta Cryst E

2011

DOI: 10.1107/s1600536811025190

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Methyl 4-[(pyrimidin-2-yl)carbamoyl]benzoate

Chun-Hsiang Lu¹,

Ching-Chou Wu²,

Chun‐Wei Yeh³

et al.

Abstract: Molecules of the title compound, C13H11N3O3, are connected into centrosymmetric dimers via intermolecular N—H⋯N hydrogen bonds, generating an R 2 2(8) motif. The pyrimidine and the phenyl rings are twisted with respect to each other by an interplanar angle of 61.3 (1)°.

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2012

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Methyl 4-[N-(5-bromopyrimidin-2-yl)carbamoyl]benzoate

Hu¹,

Wu²,

Yeh³

et al. 2012

Acta Cryst E

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In the title compound, C13H10BrN3O3, the pyrimidine and benzene rings are twisted with an interplanar angle of 58.4 (1)°. The secondary amide group adopts a cis conformation with an H—N—C—O torsion angle of 14.8 (1)°. In the crystal, molecules are connected into inversion dimers via pairs of N—H⋯N hydrogen bonds, generating an R 2 2(8) motif. The dimers are further connected through a C—Br⋯O interaction [3.136 (1) Å and 169.31 (1)°] into a chain along [110]. Weak C—H⋯N hydrogen bonds between the methyl benzoate groups and pyrimidine rings are also observed in the crystal structure.

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Methyl 4-[N-(5-bromopyrimidin-2-yl)carbamoyl]benzoate

Hu¹,

Wu²,

Yeh³

et al. 2012

Acta Cryst E

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Methyl 4-[(pyrimidin-2-yl)carbamoyl]benzoate

Abstract: Molecules of the title compound, C13H11N3O3, are connected into centrosymmetric dimers via intermolecular N—H⋯N hydrogen bonds, generating an R 2 2(8) motif. The pyrimidine and the phenyl rings are twisted with respect to each other by an interplanar angle of 61.3 (1)°.

Cited by 1 publication

References 2 publications

Methyl 4-[N-(5-bromopyrimidin-2-yl)carbamoyl]benzoate

Methyl 4-[N-(5-bromopyrimidin-2-yl)carbamoyl]benzoate

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Methyl 4-[(pyrimidin-2-yl)carbamoyl]benzoate

Abstract: Mol­ecules of the title compound, C13H11N3O3, are connected into centrosymmetric dimers via inter­molecular N—H⋯N hydrogen bonds, generating an R 2 2(8) motif. The pyrimidine and the phenyl rings are twisted with respect to each other by an inter­planar angle of 61.3 (1)°.

Cited by 1 publication

References 2 publications

Methyl 4-[N-(5-bromopyrimidin-2-yl)carbamoyl]benzoate

Methyl 4-[N-(5-bromopyrimidin-2-yl)carbamoyl]benzoate

Contact Info

Product

Resources

About

Abstract: Molecules of the title compound, C13H11N3O3, are connected into centrosymmetric dimers via intermolecular N—H⋯N hydrogen bonds, generating an R 2 2(8) motif. The pyrimidine and the phenyl rings are twisted with respect to each other by an interplanar angle of 61.3 (1)°.