Dicyclohexyl(4-isopropylphenyl)phosphane selenide

Sizwe Makhoba; Alfred Muller; Zanele Phasha

doi:10.1107/S1600536812004643

Dicyclohexyl(4-isopropylphenyl)phosphane selenide

Sizwe Makhoba, Alfred Muller, Zanele Phasha

Chemical Sciences

University of Johannesburg

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

Abstract

In the title compund, C ₂₁H ₃₃PSe, the Se=P bond is part of a distorted tetra-hedral environment on the P atom. Both cyclo-hexyl groups adopt chair conformations. A cone angle of 170° was calculated using an adaptation of the Tolman model. Intermolecular C - H⋯Se and C - H⋯Cg contacts are observed (Cg is the centroid of the benzene ring).

Original language	English
Pages (from-to)	o648
Journal	Acta Crystallographica Section E: Structure Reports Online
Volume	68
Issue number	3
DOIs	https://doi.org/10.1107/S1600536812004643
Publication status	Published - Mar 2012

Keywords

R factor = 0.023
T = 100 K
data-to-parameter ratio = 24.5
mean σ(C-C) = 0.002 Å
single-crystal X-ray study
wR factor = 0.057

ASJC Scopus subject areas

General Chemistry
General Materials Science
Condensed Matter Physics

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10.1107/S1600536812004643

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title = "Dicyclohexyl(4-isopropylphenyl)phosphane selenide",

abstract = "In the title compund, C 21H 33PSe, the Se=P bond is part of a distorted tetra-hedral environment on the P atom. Both cyclo-hexyl groups adopt chair conformations. A cone angle of 170° was calculated using an adaptation of the Tolman model. Intermolecular C - H⋯Se and C - H⋯Cg contacts are observed (Cg is the centroid of the benzene ring).",

keywords = "R factor = 0.023, T = 100 K, data-to-parameter ratio = 24.5, mean σ(C-C) = 0.002 {\AA}, single-crystal X-ray study, wR factor = 0.057",

author = "Sizwe Makhoba and Alfred Muller and Zanele Phasha",

year = "2012",

month = mar,

doi = "10.1107/S1600536812004643",

language = "English",

volume = "68",

pages = "o648",

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

issn = "1600-5368",

number = "3",

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T1 - Dicyclohexyl(4-isopropylphenyl)phosphane selenide

AU - Makhoba, Sizwe

AU - Muller, Alfred

AU - Phasha, Zanele

PY - 2012/3

Y1 - 2012/3

N2 - In the title compund, C 21H 33PSe, the Se=P bond is part of a distorted tetra-hedral environment on the P atom. Both cyclo-hexyl groups adopt chair conformations. A cone angle of 170° was calculated using an adaptation of the Tolman model. Intermolecular C - H⋯Se and C - H⋯Cg contacts are observed (Cg is the centroid of the benzene ring).

AB - In the title compund, C 21H 33PSe, the Se=P bond is part of a distorted tetra-hedral environment on the P atom. Both cyclo-hexyl groups adopt chair conformations. A cone angle of 170° was calculated using an adaptation of the Tolman model. Intermolecular C - H⋯Se and C - H⋯Cg contacts are observed (Cg is the centroid of the benzene ring).

KW - R factor = 0.023

KW - T = 100 K

KW - data-to-parameter ratio = 24.5

KW - mean σ(C-C) = 0.002 Å

KW - single-crystal X-ray study

KW - wR factor = 0.057

UR - https://www.scopus.com/pages/publications/84857926804

U2 - 10.1107/S1600536812004643

DO - 10.1107/S1600536812004643

M3 - Article

AN - SCOPUS:84857926804

SN - 1600-5368

VL - 68

SP - o648

JO - Acta Crystallographica Section E: Structure Reports Online

JF - Acta Crystallographica Section E: Structure Reports Online

IS - 3

ER -

Dicyclohexyl(4-isopropylphenyl)phosphane selenide

Abstract

Keywords

ASJC Scopus subject areas

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