Producción Científica Profesorado

Crystal Structure and Hirshfeld Surface Analysis of 1,2-Bis((2-(Bromomethyl)Phenyl)Thio)Ethane and Two Polymorphs of 1,2-Bis((2- ((Pyridin-2-ylthio)Methyl)Phenyl)Thio)Ethane



González Montiel, Simplicio

2015

Simplicio González-Montiel, Saray Baca-Téllez, Diego Martínez-Otero, Alejandro Álvarez-Hernández and Julián Cruz-Borbolla. Crystal Structure and Hirshfeld Surface Analysis of 1,2-Bis((2-(Bromomethyl)Phenyl)Thio)Ethane and Two Polymorphs of 1,2-Bis((2- ((Pyridin-2-ylthio)Methyl)Phenyl)Thio)Ethane, Mod Chem Appl 2015, 3:2 doi: http://dx.doi.org/10.4172/2329-6798.1000154


Abstract


1,2-Bis((2-(bromomethyl)phenyl)thio)ethane (1) and 1,2-bis((2-((pyridin-2-ylthio)methyl)phenyl)thio)ethane(2) were prepared and characterized by IR and NMR spectroscopy and single-crystal X-ray crystallography. X-raydiffraction studies shown that compound 1 crystallizes in a monoclinic space group P21/n with crystal parametersa=8.3970(3) Å, b=12.4566(2) Å, c=8.9251(3) Å; ?=117.911(3), V=824.96(5) Å3 and z=2, and compound 2 existsin two monoclinic polymorphs (2a and 2b). Polymorph 2a crystals are in space group P21, with unit cell parametersa=5.3702(2) Å, b=14.4235(6) Å, c=15.4664(7) Å, ?=119.97(9), V=1197.97(9) Å3 and z=2, while polymorph 2b crystalsare in space group P21/c with unit cell parameters a=7.8312(3) Å, b=9.6670(4) Å, c=16.2962(5) Å, ?=121.219(3);V=1210.12(7) Å3 and z=2. Variations in the crystal packing help to distinguish these two polymorphs via ?-? andC?H???? interactions. The 3D Hirshfeld surfaces and the associated 2D fingerprint plots have been performed to gaininsight into the behavior of these interactions in compound 1 and polymorphs 2a and 2b



Producto de Investigación




Artículos relacionados

Pentacoordination at antimony in dibenzostibocines via DSb transannular interactions (D = O, S): A s...

Pentacoordination at Germanium by Transannular Bonding of Sulfur or Oxygen in an Eight-Membered Ring...

Synthesis and Crystal Structure of [Te{S(C6H3S)2O}]: A Tetracyclic Tellurium(II) Compound Displaying...

Study of the D?Sb (D = O, S) Transannular Interaction in Sb-Monohalogenated Dibenzostibocines ? An E...

cis-Palladium(II) complexes of derivatives of di-(2-pyridyl)methane: Study of the influence of the b...

Hexacoordinated spirocyclic germanium(IV) complex: Synthesis and structural characterization

Study of the D?Sb (D = O, S) Transannular Interaction in Sb-Monohalogenated Dibenzostibocines ? An E...

Synthesis, characterization, and crystal structures of n-alkyldiorganodithiophosphates RS2P(OC6H4)2

Hypervalence at tin(IV) by transannular bonding of sulfur in an eight-membered ring: The case of dib...

Six-membered ring chelate complexes of Pd(II) and Pt(II) derived from di-(2-pyridyl)pyrimidin-2-ylsu...