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



Cruz Borbolla, Julian

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

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

Synthesis and crystal structure of the N-8-(diphenyl-hydroxy-2-aminomethylpyridine)borane

Five-membered ring chelate complexes of Ni(II), Pd(II) and Pt(II) derived of di-(2-pyridyl)-N-ethyli...

Synthesis and Relative Stability of a Series of Compounds of Type [Fe(II)(bztpen)X]+, Where bztpen =...

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

Ni(II) and Pd(II) organometallic and coordination complexes with a new tridentate N,N,O-donor ligand...

Pyrite?Arsenopyrite Galvanic Interaction and Electrochemical Reactivity

Synthesis and Spectroelectrochemical Studies of Mixed Heteroleptic Chelate Complexes of Ruthenium(II...

Mild Oxidation of C?C Bonds of Benzoiridacycles

Hypervalence in germanium compounds containing the tetracylic moiety {S(C6H3S)2O}Ge via OGe transann...