Ethyl 4-[3-(1H-imidazol-1-yl)propylamino]-3-nitrobenzoate

Yeong Keng Yoon; Mohamed Ashraf Ali; Tan Soo Choon; Wan Sin Loh; Hoong Kun Fun

doi:10.1107/S1600536811036300

Ethyl 4-[3-(1H-imidazol-1-yl)propylamino]-3-nitrobenzoate

Yeong Keng Yoon, Mohamed Ashraf Ali, Tan Soo Choon, Wan Sin Loh, Hoong Kun Fun

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

1 Citation (Scopus)

Abstract

In the title compound, C ₁₅H ₁₈N ₄O ₄, the 1H-imidazole ring forms a dihedral angle of 67.12 (8)° with the benzene ring. An S(6) ring motif is formed via an intramolecular N- H⋯O hydrogen bond. In the crystal, neighbouring molecules are linked by a pair of intermolecular N- H⋯N hydrogen bonds, forming an inversion dimer. The dimers are further linked by a pair of C- H⋯O hydrogen bonds, leading to the formation of chain along [021]. A C- H⋯π interaction involving the centroid of the benzene ring is also observed between the chains.

Original language	English
Pages (from-to)	o2606
Number of pages	1
Journal	Acta Crystallographica Section E: Structure Reports Online
Volume	67
Issue number	10
DOIs	https://doi.org/10.1107/S1600536811036300
Publication status	Published - Oct 2011
Externally published	Yes

Keywords

data-to-parameter ratio = 21.0.
mean σ(C-C) = 0.002 Å
R factor = 0.049
single-crystal X-ray study
T = 297 K
wR factor = 0.173

Access to Document

10.1107/S1600536811036300

Cite this

@article{2e56e39c45134e50852410920c937c59,

title = "Ethyl 4-[3-(1H-imidazol-1-yl)propylamino]-3-nitrobenzoate",

abstract = "In the title compound, C 15H 18N 4O 4, the 1H-imidazole ring forms a dihedral angle of 67.12 (8)° with the benzene ring. An S(6) ring motif is formed via an intramolecular N- H⋯O hydrogen bond. In the crystal, neighbouring molecules are linked by a pair of intermolecular N- H⋯N hydrogen bonds, forming an inversion dimer. The dimers are further linked by a pair of C- H⋯O hydrogen bonds, leading to the formation of chain along [021]. A C- H⋯π interaction involving the centroid of the benzene ring is also observed between the chains.",

keywords = "data-to-parameter ratio = 21.0., mean σ(C-C) = 0.002 {\AA}, R factor = 0.049, single-crystal X-ray study, T = 297 K, wR factor = 0.173",

author = "Yoon, \{Yeong Keng\} and Ali, \{Mohamed Ashraf\} and Choon, \{Tan Soo\} and Loh, \{Wan Sin\} and Fun, \{Hoong Kun\}",

year = "2011",

month = oct,

doi = "10.1107/S1600536811036300",

language = "English",

volume = "67",

pages = "o2606",

journal = "Acta Crystallographica Section E: Structure Reports Online",

issn = "2056-9890",

publisher = "International Union of Crystallography (IUCr)",

number = "10",

}

TY - JOUR

T1 - Ethyl 4-[3-(1H-imidazol-1-yl)propylamino]-3-nitrobenzoate

AU - Yoon, Yeong Keng

AU - Ali, Mohamed Ashraf

AU - Choon, Tan Soo

AU - Loh, Wan Sin

AU - Fun, Hoong Kun

PY - 2011/10

Y1 - 2011/10

N2 - In the title compound, C 15H 18N 4O 4, the 1H-imidazole ring forms a dihedral angle of 67.12 (8)° with the benzene ring. An S(6) ring motif is formed via an intramolecular N- H⋯O hydrogen bond. In the crystal, neighbouring molecules are linked by a pair of intermolecular N- H⋯N hydrogen bonds, forming an inversion dimer. The dimers are further linked by a pair of C- H⋯O hydrogen bonds, leading to the formation of chain along [021]. A C- H⋯π interaction involving the centroid of the benzene ring is also observed between the chains.

AB - In the title compound, C 15H 18N 4O 4, the 1H-imidazole ring forms a dihedral angle of 67.12 (8)° with the benzene ring. An S(6) ring motif is formed via an intramolecular N- H⋯O hydrogen bond. In the crystal, neighbouring molecules are linked by a pair of intermolecular N- H⋯N hydrogen bonds, forming an inversion dimer. The dimers are further linked by a pair of C- H⋯O hydrogen bonds, leading to the formation of chain along [021]. A C- H⋯π interaction involving the centroid of the benzene ring is also observed between the chains.

KW - data-to-parameter ratio = 21.0.

KW - mean σ(C-C) = 0.002 Å

KW - R factor = 0.049

KW - single-crystal X-ray study

KW - T = 297 K

KW - wR factor = 0.173

UR - http://www.scopus.com/inward/record.url?scp=80054994318&partnerID=8YFLogxK

U2 - 10.1107/S1600536811036300

DO - 10.1107/S1600536811036300

M3 - Article

AN - SCOPUS:80054994318

SN - 2056-9890

VL - 67

SP - o2606

JO - Acta Crystallographica Section E: Structure Reports Online

JF - Acta Crystallographica Section E: Structure Reports Online

IS - 10

ER -

Ethyl 4-[3-(1H-imidazol-1-yl)propylamino]-3-nitrobenzoate

Abstract

Keywords

Access to Document

Other files and links

Cite this