2-(1H-Benzotriazol-1-yl)-1-(furan-2-yl)-ethanol

Özden Özel Güven; Meral Bayraktar; Simon J. Coles; Tuncer Hökelek

doi:10.1107/S1600536811051798

2-(1H-Benzotriazol-1-yl)-1-(furan-2-yl)-ethanol

Özden Özel Güven
, Meral Bayraktar
, Simon J. Coles
, Tuncer Hökelek

Hacettepe University

Zonguldak Bülent Ecevit University
University of Southampton

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

1 Citation (Scopus)

Abstract

In the title compound, C ₁₂H ₁₁N ₃O ₂, the benzotriazole ring system is approximately planar [maximum deviation = 0.008(1) Å] and its mean plane is oriented at a dihedral angle of 24.05(4)° with respect to the furan ring. In the crystal, O-H··· N hydrogen bonds link the molecules into chains along the ac diagonal. π-π stacking between the furan rings, between the triazole and benzene rings, and between the benzene rings [centroid-centroid distances = 3.724(1), 3.786(1) and 3.8623(9) Å] are also observed.

Original language	English
Pages (from-to)	o72
Journal	Acta Crystallographica Section E: Structure Reports Online
Volume	68
Issue number	1
DOIs	https://doi.org/10.1107/S1600536811051798
Publication status	Published - Jan 2012

Keywords

Data-to-parameter ratio = 16.3
Mean σ(C-C) = 0.002 Å
R factor = 0.054
Single-crystal X-ray study
T = 120 K
wR factor = 0.139

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10.1107/S1600536811051798

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title = "2-(1H-Benzotriazol-1-yl)-1-(furan-2-yl)-ethanol",

abstract = "In the title compound, C 12H 11N 3O 2, the benzotriazole ring system is approximately planar [maximum deviation = 0.008(1) {\AA}] and its mean plane is oriented at a dihedral angle of 24.05(4)° with respect to the furan ring. In the crystal, O-H··· N hydrogen bonds link the molecules into chains along the ac diagonal. π-π stacking between the furan rings, between the triazole and benzene rings, and between the benzene rings [centroid-centroid distances = 3.724(1), 3.786(1) and 3.8623(9) {\AA}] are also observed.",

keywords = "Data-to-parameter ratio = 16.3, Mean σ(C-C) = 0.002 {\AA}, R factor = 0.054, Single-crystal X-ray study, T = 120 K, wR factor = 0.139",

author = "\{{\"O}zel G{\"u}ven\}, {\"O}zden and Meral Bayraktar and Coles, \{Simon J.\} and Tuncer H{\"o}kelek",

year = "2012",

month = jan,

doi = "10.1107/S1600536811051798",

language = "English",

volume = "68",

pages = "o72",

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

issn = "1600-5368",

publisher = "International Union of Crystallography",

number = "1",

}

TY - JOUR

T1 - 2-(1H-Benzotriazol-1-yl)-1-(furan-2-yl)-ethanol

AU - Özel Güven, Özden

AU - Bayraktar, Meral

AU - Coles, Simon J.

AU - Hökelek, Tuncer

PY - 2012/1

Y1 - 2012/1

N2 - In the title compound, C 12H 11N 3O 2, the benzotriazole ring system is approximately planar [maximum deviation = 0.008(1) Å] and its mean plane is oriented at a dihedral angle of 24.05(4)° with respect to the furan ring. In the crystal, O-H··· N hydrogen bonds link the molecules into chains along the ac diagonal. π-π stacking between the furan rings, between the triazole and benzene rings, and between the benzene rings [centroid-centroid distances = 3.724(1), 3.786(1) and 3.8623(9) Å] are also observed.

AB - In the title compound, C 12H 11N 3O 2, the benzotriazole ring system is approximately planar [maximum deviation = 0.008(1) Å] and its mean plane is oriented at a dihedral angle of 24.05(4)° with respect to the furan ring. In the crystal, O-H··· N hydrogen bonds link the molecules into chains along the ac diagonal. π-π stacking between the furan rings, between the triazole and benzene rings, and between the benzene rings [centroid-centroid distances = 3.724(1), 3.786(1) and 3.8623(9) Å] are also observed.

KW - Data-to-parameter ratio = 16.3

KW - Mean σ(C-C) = 0.002 Å

KW - R factor = 0.054

KW - Single-crystal X-ray study

KW - T = 120 K

KW - wR factor = 0.139

UR - https://www.scopus.com/pages/publications/84855383656

U2 - 10.1107/S1600536811051798

DO - 10.1107/S1600536811051798

M3 - Article

C2 - 22259573

AN - SCOPUS:84855383656

SN - 1600-5368

VL - 68

SP - o72

JO - Acta Crystallographica Section E: Structure Reports Online

JF - Acta Crystallographica Section E: Structure Reports Online

IS - 1

ER -

2-(1H-Benzotriazol-1-yl)-1-(furan-2-yl)-ethanol

Abstract

Keywords

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