Crystal Structure of 2-[(P,P-Diphenoxy)phosphono(p-methyl)benzyl]-1, 2-benzisoselenazol-3(2H)-one

Jia Zhou, Jun Min Huang, Yu Tang, Ru Yu Chen

Research output: Contribution to journalArticle

2 Citations (Scopus)

Abstract

The crystal structure of the title compound 2-[(P, P-Diphenoxy) phosphono(p-methyl)benzyl]-1, 2-benzisoselenazol-3(2H)-one, C27H22NO4PSe, was determined by single crystal X-ray diffraction. It crystallizes in the triclinic system, space group P1(No. 2) with Mr = 534.41, a = 9.761(2), b = 10.304(2), c = 13.396 (3) Å, α = 110.97(3), β = 107.70(3). γ = 90.02(3)°, V = 1190(1) Å3, Z = 2, Dx = 1.492 g/cm3, λ = 0.71073 Å, μ = 1.6596 mm-1 and F(000) = 544. The structure was solved by direct methods. The final R factor is 0.068 and Rw is 0.074 for 2500 unique observed reflections [I≥3σ(I)]. The results presented herein indicate that the selenium-containing bicyclic moiety is a coplanar structure and that two adjacent molecules are symmetrically linked to each other forming a dimer through the Se(1c)⋯ O = P(1) bonding interaction with an intermolecular Se(1c)⋯O distance of 2.797 Å.

Original languageEnglish (US)
Pages (from-to)103-106
Number of pages4
JournalJiegou Huaxue
Volume18
Issue number2
StatePublished - 1999
Externally publishedYes

Fingerprint

R Factors
Selenium
selenium
Dimers
Crystal structure
dimers
Single crystals
X ray diffraction
crystal structure
Molecules
single crystals
diffraction
molecules
x rays
interactions

Keywords

  • 1-aminoalkanephosphonate
  • Benzisoselenazolone
  • Crystal structure
  • Pharmacological activity

ASJC Scopus subject areas

  • Inorganic Chemistry
  • Condensed Matter Physics

Cite this

Crystal Structure of 2-[(P,P-Diphenoxy)phosphono(p-methyl)benzyl]-1, 2-benzisoselenazol-3(2H)-one. / Zhou, Jia; Huang, Jun Min; Tang, Yu; Chen, Ru Yu.

In: Jiegou Huaxue, Vol. 18, No. 2, 1999, p. 103-106.

Research output: Contribution to journalArticle

Zhou, Jia ; Huang, Jun Min ; Tang, Yu ; Chen, Ru Yu. / Crystal Structure of 2-[(P,P-Diphenoxy)phosphono(p-methyl)benzyl]-1, 2-benzisoselenazol-3(2H)-one. In: Jiegou Huaxue. 1999 ; Vol. 18, No. 2. pp. 103-106.
@article{ebdc0f7c9b034ebab7b81f2880eaab42,
title = "Crystal Structure of 2-[(P,P-Diphenoxy)phosphono(p-methyl)benzyl]-1, 2-benzisoselenazol-3(2H)-one",
abstract = "The crystal structure of the title compound 2-[(P, P-Diphenoxy) phosphono(p-methyl)benzyl]-1, 2-benzisoselenazol-3(2H)-one, C27H22NO4PSe, was determined by single crystal X-ray diffraction. It crystallizes in the triclinic system, space group P1(No. 2) with Mr = 534.41, a = 9.761(2), b = 10.304(2), c = 13.396 (3) {\AA}, α = 110.97(3), β = 107.70(3). γ = 90.02(3)°, V = 1190(1) {\AA}3, Z = 2, Dx = 1.492 g/cm3, λ = 0.71073 {\AA}, μ = 1.6596 mm-1 and F(000) = 544. The structure was solved by direct methods. The final R factor is 0.068 and Rw is 0.074 for 2500 unique observed reflections [I≥3σ(I)]. The results presented herein indicate that the selenium-containing bicyclic moiety is a coplanar structure and that two adjacent molecules are symmetrically linked to each other forming a dimer through the Se(1c)⋯ O = P(1) bonding interaction with an intermolecular Se(1c)⋯O distance of 2.797 {\AA}.",
keywords = "1-aminoalkanephosphonate, Benzisoselenazolone, Crystal structure, Pharmacological activity",
author = "Jia Zhou and Huang, {Jun Min} and Yu Tang and Chen, {Ru Yu}",
year = "1999",
language = "English (US)",
volume = "18",
pages = "103--106",
journal = "Jiegou Huaxue",
issn = "0254-5861",
publisher = "Fujian Institute of Research of the Structure of Matter",
number = "2",

}

TY - JOUR

T1 - Crystal Structure of 2-[(P,P-Diphenoxy)phosphono(p-methyl)benzyl]-1, 2-benzisoselenazol-3(2H)-one

AU - Zhou, Jia

AU - Huang, Jun Min

AU - Tang, Yu

AU - Chen, Ru Yu

PY - 1999

Y1 - 1999

N2 - The crystal structure of the title compound 2-[(P, P-Diphenoxy) phosphono(p-methyl)benzyl]-1, 2-benzisoselenazol-3(2H)-one, C27H22NO4PSe, was determined by single crystal X-ray diffraction. It crystallizes in the triclinic system, space group P1(No. 2) with Mr = 534.41, a = 9.761(2), b = 10.304(2), c = 13.396 (3) Å, α = 110.97(3), β = 107.70(3). γ = 90.02(3)°, V = 1190(1) Å3, Z = 2, Dx = 1.492 g/cm3, λ = 0.71073 Å, μ = 1.6596 mm-1 and F(000) = 544. The structure was solved by direct methods. The final R factor is 0.068 and Rw is 0.074 for 2500 unique observed reflections [I≥3σ(I)]. The results presented herein indicate that the selenium-containing bicyclic moiety is a coplanar structure and that two adjacent molecules are symmetrically linked to each other forming a dimer through the Se(1c)⋯ O = P(1) bonding interaction with an intermolecular Se(1c)⋯O distance of 2.797 Å.

AB - The crystal structure of the title compound 2-[(P, P-Diphenoxy) phosphono(p-methyl)benzyl]-1, 2-benzisoselenazol-3(2H)-one, C27H22NO4PSe, was determined by single crystal X-ray diffraction. It crystallizes in the triclinic system, space group P1(No. 2) with Mr = 534.41, a = 9.761(2), b = 10.304(2), c = 13.396 (3) Å, α = 110.97(3), β = 107.70(3). γ = 90.02(3)°, V = 1190(1) Å3, Z = 2, Dx = 1.492 g/cm3, λ = 0.71073 Å, μ = 1.6596 mm-1 and F(000) = 544. The structure was solved by direct methods. The final R factor is 0.068 and Rw is 0.074 for 2500 unique observed reflections [I≥3σ(I)]. The results presented herein indicate that the selenium-containing bicyclic moiety is a coplanar structure and that two adjacent molecules are symmetrically linked to each other forming a dimer through the Se(1c)⋯ O = P(1) bonding interaction with an intermolecular Se(1c)⋯O distance of 2.797 Å.

KW - 1-aminoalkanephosphonate

KW - Benzisoselenazolone

KW - Crystal structure

KW - Pharmacological activity

UR - http://www.scopus.com/inward/record.url?scp=0345895412&partnerID=8YFLogxK

UR - http://www.scopus.com/inward/citedby.url?scp=0345895412&partnerID=8YFLogxK

M3 - Article

VL - 18

SP - 103

EP - 106

JO - Jiegou Huaxue

JF - Jiegou Huaxue

SN - 0254-5861

IS - 2

ER -