(E)-3,5-Dimethyl-1-p-tolyl-4-(p-tolyldiazenyl)-1H-pyrazole

Carlos Bustos; Marcia Pérez-Cerda; Luis Alvarez-Thon; Enrique Barrales-Salcedo; Maria Teresa Garland

doi:10.1107/S1600536812000360

(E)-3,5-Dimethyl-1-p-tolyl-4-(p-tolyldiazenyl)-1H-pyrazole

Carlos Bustos
, Marcia Pérez-Cerda
, Luis Alvarez-Thon
, Enrique Barrales-Salcedo
, Maria Teresa Garland

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

5 Scopus citations

Abstract

There are two independent molecules, A and B, in the asymmetric unit of the title compound, C ₁₉H ₂₀N ₄, in each of which the N=N double bond has an E conformation. The dihedral angles between the pyrazole ring and the p-tolyl rings in the 1- and 4-positions are 22.54 (8) and 35.73 (7)°, respectively, in molecule A. The corresponding dihedral angles in molecule B are 28.13 (8) and 22.18 (8)°. In the crystal, the A and B molecules are linked by weak C - H⋯π interactions, leading to inversion dimers in each case.

Original language	English
Pages (from-to)	o353-o354
Journal	Acta Crystallographica Section E: Structure Reports Online
Volume	68
Issue number	2
DOIs	https://doi.org/10.1107/S1600536812000360
State	Published - Feb 2012
Externally published	Yes

Keywords

R factor = 0.046
T = 150 K
data-to-parameter ratio = 15.7
mean σ(C-C) = 0.002 Å
single-crystal X-ray study
wR factor = 0.121

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10.1107/S1600536812000360

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@article{d7cea7ce464a4fb78e6117a69e94e69d,

title = "(E)-3,5-Dimethyl-1-p-tolyl-4-(p-tolyldiazenyl)-1H-pyrazole",

abstract = "There are two independent molecules, A and B, in the asymmetric unit of the title compound, C 19H 20N 4, in each of which the N=N double bond has an E conformation. The dihedral angles between the pyrazole ring and the p-tolyl rings in the 1- and 4-positions are 22.54 (8) and 35.73 (7)°, respectively, in molecule A. The corresponding dihedral angles in molecule B are 28.13 (8) and 22.18 (8)°. In the crystal, the A and B molecules are linked by weak C - H⋯π interactions, leading to inversion dimers in each case.",

keywords = "R factor = 0.046, T = 150 K, data-to-parameter ratio = 15.7, mean σ(C-C) = 0.002 {\AA}, single-crystal X-ray study, wR factor = 0.121",

author = "Carlos Bustos and Marcia P{\'e}rez-Cerda and Luis Alvarez-Thon and Enrique Barrales-Salcedo and Garland, \{Maria Teresa\}",

year = "2012",

month = feb,

doi = "10.1107/S1600536812000360",

language = "English",

volume = "68",

pages = "o353--o354",

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

issn = "1600-5368",

number = "2",

}

TY - JOUR

T1 - (E)-3,5-Dimethyl-1-p-tolyl-4-(p-tolyldiazenyl)-1H-pyrazole

AU - Bustos, Carlos

AU - Pérez-Cerda, Marcia

AU - Alvarez-Thon, Luis

AU - Barrales-Salcedo, Enrique

AU - Garland, Maria Teresa

PY - 2012/2

Y1 - 2012/2

N2 - There are two independent molecules, A and B, in the asymmetric unit of the title compound, C 19H 20N 4, in each of which the N=N double bond has an E conformation. The dihedral angles between the pyrazole ring and the p-tolyl rings in the 1- and 4-positions are 22.54 (8) and 35.73 (7)°, respectively, in molecule A. The corresponding dihedral angles in molecule B are 28.13 (8) and 22.18 (8)°. In the crystal, the A and B molecules are linked by weak C - H⋯π interactions, leading to inversion dimers in each case.

AB - There are two independent molecules, A and B, in the asymmetric unit of the title compound, C 19H 20N 4, in each of which the N=N double bond has an E conformation. The dihedral angles between the pyrazole ring and the p-tolyl rings in the 1- and 4-positions are 22.54 (8) and 35.73 (7)°, respectively, in molecule A. The corresponding dihedral angles in molecule B are 28.13 (8) and 22.18 (8)°. In the crystal, the A and B molecules are linked by weak C - H⋯π interactions, leading to inversion dimers in each case.

KW - R factor = 0.046

KW - T = 150 K

KW - data-to-parameter ratio = 15.7

KW - mean σ(C-C) = 0.002 Å

KW - single-crystal X-ray study

KW - wR factor = 0.121

UR - https://www.scopus.com/pages/publications/84856966351

U2 - 10.1107/S1600536812000360

DO - 10.1107/S1600536812000360

M3 - Article

AN - SCOPUS:84856966351

SN - 1600-5368

VL - 68

SP - o353-o354

JO - Acta Crystallographica Section E: Structure Reports Online

JF - Acta Crystallographica Section E: Structure Reports Online

IS - 2

ER -

(E)-3,5-Dimethyl-1-p-tolyl-4-(p-tolyldiazenyl)-1H-pyrazole

Abstract

Keywords

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