Crystal structure of N′ -(2, 6-dimethyl-phenyl)benzenecarboximidamide tetrahydrofuran monosolvate

Jian Ping Zhao, Rui Qin Liu, Zhi Hao Jiang, Sheng Di Bai*, W. T A Harrison (Editor)

*Corresponding author for this work

Research output: Contribution to journalArticle

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Abstract

The asymmetric unit of the title compound, C15H16N2·C4H8O, contains two amidine molecules (A and B) with slightly different conformations and two tetrahydrofuran (THF) solvent molecules. In the amidine molecules, the dimethyl-phenyl ring and the NH2 group lie to the same side of the N=C bond and the dihedral angles between the aromatic rings are 54.25 (7) (molecule A) and 58.88 (6) ° (molecule B). In the crystal, N - H⋯N hydrogen bonds link the amidine molecules into [100] C(4) chains of alternating A and B molecules. Both amidine molecules form an N - H⋯O hydrogen bond to an adjacent THF solvent molecule.

Original languageEnglish
Pages (from-to)o28-o29
Number of pages2
JournalActa Crystallographica Section E: Structure Reports Online
Volume71
Issue number1
DOIs
Publication statusPublished - 1 Jan 2015

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tetrahydrofuran
Crystal structure
Amidines
crystal structure
Molecules
molecules
Hydrogen bonds
hydrogen bonds
rings
Dihedral angle
Conformations
dihedral angle
Crystals

Keywords

  • Benzenecarboximidamide
  • Crystal structure
  • Hydrogen bonding
  • Tetrahydrofuran solvate

ASJC Scopus subject areas

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

Cite this

Crystal structure of N′ -(2, 6-dimethyl-phenyl)benzenecarboximidamide tetrahydrofuran monosolvate. / Zhao, Jian Ping; Liu, Rui Qin; Jiang, Zhi Hao; Bai, Sheng Di; Harrison, W. T A (Editor).

In: Acta Crystallographica Section E: Structure Reports Online, Vol. 71, No. 1, 01.01.2015, p. o28-o29.

Research output: Contribution to journalArticle

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title = "Crystal structure of N′ -(2, 6-dimethyl-phenyl)benzenecarboximidamide tetrahydrofuran monosolvate",
abstract = "The asymmetric unit of the title compound, C15H16N2·C4H8O, contains two amidine molecules (A and B) with slightly different conformations and two tetrahydrofuran (THF) solvent molecules. In the amidine molecules, the dimethyl-phenyl ring and the NH2 group lie to the same side of the N=C bond and the dihedral angles between the aromatic rings are 54.25 (7) (molecule A) and 58.88 (6) ° (molecule B). In the crystal, N - H⋯N hydrogen bonds link the amidine molecules into [100] C(4) chains of alternating A and B molecules. Both amidine molecules form an N - H⋯O hydrogen bond to an adjacent THF solvent molecule.",
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AU - Zhao, Jian Ping

AU - Liu, Rui Qin

AU - Jiang, Zhi Hao

AU - Bai, Sheng Di

A2 - Harrison, W. T A

N1 - Acknowledgements This work was supported by grants from the Natural Science Foundation of China (grant No. 20702029) and the Natural Science Foundation of Shanxi Province (grant No. 2008011024).

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N2 - The asymmetric unit of the title compound, C15H16N2·C4H8O, contains two amidine molecules (A and B) with slightly different conformations and two tetrahydrofuran (THF) solvent molecules. In the amidine molecules, the dimethyl-phenyl ring and the NH2 group lie to the same side of the N=C bond and the dihedral angles between the aromatic rings are 54.25 (7) (molecule A) and 58.88 (6) ° (molecule B). In the crystal, N - H⋯N hydrogen bonds link the amidine molecules into [100] C(4) chains of alternating A and B molecules. Both amidine molecules form an N - H⋯O hydrogen bond to an adjacent THF solvent molecule.

AB - The asymmetric unit of the title compound, C15H16N2·C4H8O, contains two amidine molecules (A and B) with slightly different conformations and two tetrahydrofuran (THF) solvent molecules. In the amidine molecules, the dimethyl-phenyl ring and the NH2 group lie to the same side of the N=C bond and the dihedral angles between the aromatic rings are 54.25 (7) (molecule A) and 58.88 (6) ° (molecule B). In the crystal, N - H⋯N hydrogen bonds link the amidine molecules into [100] C(4) chains of alternating A and B molecules. Both amidine molecules form an N - H⋯O hydrogen bond to an adjacent THF solvent molecule.

KW - Benzenecarboximidamide

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