5-[(E)-Methoxy(phenyl)methylidene]-1,3,4-triphenyl-4,5-dihydro-1H-1,2, 4-triazole

Biplab Maji; Guillaume Berionni; Herbert Mayr; Peter Mayer

doi:10.1107/S1600536812045692

5-[(E)-Methoxy(phenyl)methylidene]-1,3,4-triphenyl-4,5-dihydro-1H-1,2, 4-triazole

Biplab Maji, Guillaume Berionni, Herbert Mayr, Peter Mayer

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

Abstract

In the title compound, C28H23N3O, the 1,2,4-triazole ring deviates slightly from planarity adopting a ^N3 T C2 conformation which is distorted towards an E C2 conformation. The plane around the ethylene unit makes a dihedral angle of 17.32 (11)°with the mean plane [r.m.s. deviation = 0.036 (1) Å] of the 1,2,4-triazole fragment. The dihedral angles between the four phenyl rings and the 1,2,4-triazole ring are 31.01 (10), 49.01 (8), 78.55 (6) and 41.51 (9)°. In the crystal, molecules are linked along [100] by weak C-H⋯O hydrogen bonds.

Original language	English
Journal	Acta Crystallographica Section E: Structure Reports Online
Volume	68
Issue number	12
DOIs	https://doi.org/10.1107/S1600536812045692
Publication status	Published - Dec 2012
Externally published	Yes

Keywords

data-to-parameter ratio = 13.1
mean ω(C-C) = 0.003 Å
R factor = 0.045
single-crystal X-ray study
T = 200 K
wR factor = 0.116

Access to Document

10.1107/S1600536812045692

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@article{732bce1f3e0a442b95834bf2e6f12575,

title = "5-[(E)-Methoxy(phenyl)methylidene]-1,3,4-triphenyl-4,5-dihydro-1H-1,2, 4-triazole",

abstract = "In the title compound, C28H23N3O, the 1,2,4-triazole ring deviates slightly from planarity adopting a N3 T C2 conformation which is distorted towards an E C2 conformation. The plane around the ethylene unit makes a dihedral angle of 17.32 (11)°with the mean plane [r.m.s. deviation = 0.036 (1) {\AA}] of the 1,2,4-triazole fragment. The dihedral angles between the four phenyl rings and the 1,2,4-triazole ring are 31.01 (10), 49.01 (8), 78.55 (6) and 41.51 (9)°. In the crystal, molecules are linked along [100] by weak C-H⋯O hydrogen bonds.",

keywords = "data-to-parameter ratio = 13.1, mean ω(C-C) = 0.003 {\AA}, R factor = 0.045, single-crystal X-ray study, T = 200 K, wR factor = 0.116",

author = "Biplab Maji and Guillaume Berionni and Herbert Mayr and Peter Mayer",

year = "2012",

month = dec,

doi = "10.1107/S1600536812045692",

language = "English",

volume = "68",

journal = "Acta Crystallographica Section E",

issn = "1600-5368",

publisher = "International Union of Crystallography",

number = "12",

}

TY - JOUR

T1 - 5-[(E)-Methoxy(phenyl)methylidene]-1,3,4-triphenyl-4,5-dihydro-1H-1,2, 4-triazole

AU - Maji, Biplab

AU - Berionni, Guillaume

AU - Mayr, Herbert

AU - Mayer, Peter

PY - 2012/12

Y1 - 2012/12

N2 - In the title compound, C28H23N3O, the 1,2,4-triazole ring deviates slightly from planarity adopting a N3 T C2 conformation which is distorted towards an E C2 conformation. The plane around the ethylene unit makes a dihedral angle of 17.32 (11)°with the mean plane [r.m.s. deviation = 0.036 (1) Å] of the 1,2,4-triazole fragment. The dihedral angles between the four phenyl rings and the 1,2,4-triazole ring are 31.01 (10), 49.01 (8), 78.55 (6) and 41.51 (9)°. In the crystal, molecules are linked along [100] by weak C-H⋯O hydrogen bonds.

AB - In the title compound, C28H23N3O, the 1,2,4-triazole ring deviates slightly from planarity adopting a N3 T C2 conformation which is distorted towards an E C2 conformation. The plane around the ethylene unit makes a dihedral angle of 17.32 (11)°with the mean plane [r.m.s. deviation = 0.036 (1) Å] of the 1,2,4-triazole fragment. The dihedral angles between the four phenyl rings and the 1,2,4-triazole ring are 31.01 (10), 49.01 (8), 78.55 (6) and 41.51 (9)°. In the crystal, molecules are linked along [100] by weak C-H⋯O hydrogen bonds.

KW - data-to-parameter ratio = 13.1

KW - mean ω(C-C) = 0.003 Å

KW - R factor = 0.045

KW - single-crystal X-ray study

KW - T = 200 K

KW - wR factor = 0.116

UR - http://www.scopus.com/inward/record.url?scp=84870862889&partnerID=8YFLogxK

U2 - 10.1107/S1600536812045692

DO - 10.1107/S1600536812045692

M3 - Article

AN - SCOPUS:84870862889

VL - 68

JO - Acta Crystallographica Section E

JF - Acta Crystallographica Section E

SN - 1600-5368

IS - 12

ER -