1-(4-Methoxy-phen-yl)-3-phenyl-1H-pyrazol-5-amine

Isuru R. Kumarasinghe; Victor J. Hruby; Gary S. Nichol

doi:10.1107/S1600536809015463

1-(4-Methoxy-phen-yl)-3-phenyl-1H-pyrazol-5-amine

Isuru R. Kumarasinghe, Victor J. Hruby, Gary S. Nichol

Chemistry and Biochemistry

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

1 Scopus citations

Abstract

The synthesis of the title compound, C16H15N3O, is regiospecific and single-crystal X-ray diffraction provides the only means of unambiguous structural analysis, with the benzene ring bonded to the imine C atom. The phenyl ring and the essentially planar (r.m.s. deviation 0.0354 Å) methoxy-benzene group are rotated by 29.41 (5) and 37.01 (5)°, respectively, from the central pyrazole ring. An inter-molecular N - H⋯N hydrogen bond links symmetry-related mol-ecules into a C(5) chain, which runs parallel to the b axis.

Original language	English (US)
Pages (from-to)	o1170
Journal	Acta Crystallographica Section E: Structure Reports Online
Volume	65
Issue number	5
DOIs	https://doi.org/10.1107/S1600536809015463
State	Published - 2009

ASJC Scopus subject areas

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

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10.1107/S1600536809015463

Cite this

@article{01c2326e9ad84b73b5411cdddd82541b,

title = "1-(4-Methoxy-phen-yl)-3-phenyl-1H-pyrazol-5-amine",

abstract = "The synthesis of the title compound, C16H15N3O, is regiospecific and single-crystal X-ray diffraction provides the only means of unambiguous structural analysis, with the benzene ring bonded to the imine C atom. The phenyl ring and the essentially planar (r.m.s. deviation 0.0354 {\AA}) methoxy-benzene group are rotated by 29.41 (5) and 37.01 (5)°, respectively, from the central pyrazole ring. An inter-molecular N - H⋯N hydrogen bond links symmetry-related mol-ecules into a C(5) chain, which runs parallel to the b axis.",

author = "Kumarasinghe, {Isuru R.} and Hruby, {Victor J.} and Nichol, {Gary S.}",

year = "2009",

doi = "10.1107/S1600536809015463",

language = "English (US)",

volume = "65",

pages = "o1170",

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

issn = "1600-5368",

publisher = "International Union of Crystallography",

number = "5",

}

TY - JOUR

T1 - 1-(4-Methoxy-phen-yl)-3-phenyl-1H-pyrazol-5-amine

AU - Kumarasinghe, Isuru R.

AU - Hruby, Victor J.

AU - Nichol, Gary S.

PY - 2009

Y1 - 2009

N2 - The synthesis of the title compound, C16H15N3O, is regiospecific and single-crystal X-ray diffraction provides the only means of unambiguous structural analysis, with the benzene ring bonded to the imine C atom. The phenyl ring and the essentially planar (r.m.s. deviation 0.0354 Å) methoxy-benzene group are rotated by 29.41 (5) and 37.01 (5)°, respectively, from the central pyrazole ring. An inter-molecular N - H⋯N hydrogen bond links symmetry-related mol-ecules into a C(5) chain, which runs parallel to the b axis.

AB - The synthesis of the title compound, C16H15N3O, is regiospecific and single-crystal X-ray diffraction provides the only means of unambiguous structural analysis, with the benzene ring bonded to the imine C atom. The phenyl ring and the essentially planar (r.m.s. deviation 0.0354 Å) methoxy-benzene group are rotated by 29.41 (5) and 37.01 (5)°, respectively, from the central pyrazole ring. An inter-molecular N - H⋯N hydrogen bond links symmetry-related mol-ecules into a C(5) chain, which runs parallel to the b axis.

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U2 - 10.1107/S1600536809015463

DO - 10.1107/S1600536809015463

M3 - Article

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AN - SCOPUS:66749183435

VL - 65

SP - o1170

JO - Acta Crystallographica Section E: Structure Reports Online

JF - Acta Crystallographica Section E: Structure Reports Online

SN - 1600-5368

IS - 5

ER -

1-(4-Methoxy-phen-yl)-3-phenyl-1H-pyrazol-5-amine

Abstract

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CCDC 731375: Experimental Crystal Structure Determination

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1-(4-Methoxy-phen-yl)-3-phenyl-1H-pyrazol-5-amine

Abstract

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Datasets

CCDC 731375: Experimental Crystal Structure Determination

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