Synthesis and crystal structure of (S)-N-(2-oxoazepan-3-yl)biphenyl-4-carboxamide

Zheng Fang; Ke Tao Chen; Xiao Lin Li; Wen Bo Zeng; Kai Guo

doi:10.14102/j.cnki.0254-5861.2011-0436

Synthesis and crystal structure of (S)-N-(2-oxoazepan-3-yl)biphenyl-4-carboxamide

Zheng Fang, Ke Tao Chen, Xiao Lin Li, Wen Bo Zeng, Kai Guo

COLLEGE OF BIOTECHNOLOGY AND PHARMACEUTICAL ENGINEERING

Nanjing Tech University

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

Abstract

The title compound (S)-N-(2-oxoazepan-3-yl)biphenyl-4-carboxamide (C₁₉H₂₀N₂O₂, M_r = 308.37) was synthesized by the reaction of (S)-α-amino-Σ-caprolactam with 4-phenyl-benzoyl chloride. Its chemical structure was determined by ¹H NMR, ¹³C NMR, H RMS and X-ray single-crystal diffraction. The crystal belongs to the triclinic system, space group P1¯ with a = 8.2650(17), b = 13.774(3), c = 15.109(3) Å, β = 90.20(3)°, V = 1645.6(6) Å³, Z = 4, D_c = 1.245 g/cm³, μ = 0.081 mm^-1, F(000) = 656, R = 0.0756 and wR = 0.1491 for 5964 observed reflections with I > 2σ(I). The title compound was also used to prepare polyamide.

Original language	English
Pages (from-to)	82-86
Number of pages	5
Journal	Jiegou Huaxue
Volume	34
Issue number	1
DOIs	https://doi.org/10.14102/j.cnki.0254-5861.2011-0436
State	Published - 15 Jan 2015

Keywords

Caprolactam
Crystal structure
Lysine
Polyamide

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10.14102/j.cnki.0254-5861.2011-0436

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@article{6eb3cb0a1bf34178897388ebb232aef0,

title = "Synthesis and crystal structure of (S)-N-(2-oxoazepan-3-yl)biphenyl-4-carboxamide",

abstract = "The title compound (S)-N-(2-oxoazepan-3-yl)biphenyl-4-carboxamide (C19H20N2O2, Mr = 308.37) was synthesized by the reaction of (S)-α-amino-Σ-caprolactam with 4-phenyl-benzoyl chloride. Its chemical structure was determined by 1H NMR, 13C NMR, H RMS and X-ray single-crystal diffraction. The crystal belongs to the triclinic system, space group P1¯ with a = 8.2650(17), b = 13.774(3), c = 15.109(3) {\AA}, β = 90.20(3)°, V = 1645.6(6) {\AA}3, Z = 4, Dc = 1.245 g/cm3, μ = 0.081 mm-1, F(000) = 656, R = 0.0756 and wR = 0.1491 for 5964 observed reflections with I > 2σ(I). The title compound was also used to prepare polyamide.",

keywords = "Caprolactam, Crystal structure, Lysine, Polyamide",

author = "Zheng Fang and Chen, {Ke Tao} and Li, {Xiao Lin} and Zeng, {Wen Bo} and Kai Guo",

note = "Publisher Copyright: {\textcopyright} 2015 Chinese J. Struct. Chem.",

year = "2015",

month = jan,

day = "15",

doi = "10.14102/j.cnki.0254-5861.2011-0436",

language = "英语",

volume = "34",

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TY - JOUR

T1 - Synthesis and crystal structure of (S)-N-(2-oxoazepan-3-yl)biphenyl-4-carboxamide

AU - Fang, Zheng

AU - Chen, Ke Tao

AU - Li, Xiao Lin

AU - Zeng, Wen Bo

AU - Guo, Kai

PY - 2015/1/15

Y1 - 2015/1/15

N2 - The title compound (S)-N-(2-oxoazepan-3-yl)biphenyl-4-carboxamide (C19H20N2O2, Mr = 308.37) was synthesized by the reaction of (S)-α-amino-Σ-caprolactam with 4-phenyl-benzoyl chloride. Its chemical structure was determined by 1H NMR, 13C NMR, H RMS and X-ray single-crystal diffraction. The crystal belongs to the triclinic system, space group P1¯ with a = 8.2650(17), b = 13.774(3), c = 15.109(3) Å, β = 90.20(3)°, V = 1645.6(6) Å3, Z = 4, Dc = 1.245 g/cm3, μ = 0.081 mm-1, F(000) = 656, R = 0.0756 and wR = 0.1491 for 5964 observed reflections with I > 2σ(I). The title compound was also used to prepare polyamide.

AB - The title compound (S)-N-(2-oxoazepan-3-yl)biphenyl-4-carboxamide (C19H20N2O2, Mr = 308.37) was synthesized by the reaction of (S)-α-amino-Σ-caprolactam with 4-phenyl-benzoyl chloride. Its chemical structure was determined by 1H NMR, 13C NMR, H RMS and X-ray single-crystal diffraction. The crystal belongs to the triclinic system, space group P1¯ with a = 8.2650(17), b = 13.774(3), c = 15.109(3) Å, β = 90.20(3)°, V = 1645.6(6) Å3, Z = 4, Dc = 1.245 g/cm3, μ = 0.081 mm-1, F(000) = 656, R = 0.0756 and wR = 0.1491 for 5964 observed reflections with I > 2σ(I). The title compound was also used to prepare polyamide.

KW - Caprolactam

KW - Crystal structure

KW - Lysine

KW - Polyamide

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U2 - 10.14102/j.cnki.0254-5861.2011-0436

DO - 10.14102/j.cnki.0254-5861.2011-0436

M3 - 文章

AN - SCOPUS:84920911400

SN - 0254-5861

VL - 34

SP - 82

EP - 86

JO - Jiegou Huaxue

JF - Jiegou Huaxue

IS - 1

ER -

Synthesis and crystal structure of (S)-N-(2-oxoazepan-3-yl)biphenyl-4-carboxamide

Abstract

Keywords

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