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

doi:10.1107/S2056989014026255

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

Chemistry

Shanxi University

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

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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 language	English
Pages (from-to)	o28-o29
Number of pages	2
Journal	Acta Crystallographica Section E: Structure Reports Online
Volume	71
Issue number	1
DOIs	https://doi.org/10.1107/S2056989014026255
Publication status	Published - 1 Jan 2015

Bibliographical note

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).

Keywords

Benzenecarboximidamide
Crystal structure
Hydrogen bonding
Tetrahydrofuran solvate

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

keywords = "Benzenecarboximidamide, Crystal structure, Hydrogen bonding, Tetrahydrofuran solvate",

author = "Zhao, {Jian Ping} and Liu, {Rui Qin} and Jiang, {Zhi Hao} and Bai, {Sheng Di} and Harrison, {W. T A}",

note = "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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T1 - Crystal structure of N′ -(2, 6-dimethyl-phenyl)benzenecarboximidamide tetrahydrofuran monosolvate

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).

PY - 2015/1/1

Y1 - 2015/1/1

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

KW - Crystal structure

KW - Hydrogen bonding

KW - Tetrahydrofuran solvate

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

Abstract

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Keywords

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