Crystal structure of O-hexyl benzoylcarbamothioate, C14H19NO2S

Author:

Caracelli Ignez1,Zukerman-Schpector Julio2,Garcia Ariel L. Llanes3,Alvarez Heiddy Márquez4,Tiekink Edward R.T.5

Affiliation:

1. BioMat, Departamento de Física, Universidade Federal de São Carlos, C.P. 676, São Carlos, SP, 13565-905, Brazil

2. Laboratório de Cristalografia, Estereodinâmica e Modelagem Molecular, Departamento de Química, Universidade Federal de São Carlos, C.P. 676, São Carlos, SP, 13565-905, Brazil

3. Instituto de Química, Universidade Estadual de Campinas, UNICAMP, CP 6154, CEP 13084-917 Campinas, Brazil

4. Universidade Estadual de Feira de Santana, Feira de Santana, BA – Brasil

5. Research Centre for Crystalline Materials, School of Science and Technology, Sunway University, 47500 Bandar Sunway, Selangor Darul Ehsan, Malaysia

Abstract

AbstractC14H19NO2S, monoclinic, P21/c (no. 14), a = 8.6849(10) Å, b = 18.740(2) Å, c = 10.0465(12) Å, β = 112.845(3)°, V = 1506.9(3) Å3, Z = 4, Rgt(F) = 0.0685, wRref(F2) = 0.2023, T = 293(2) K.

Publisher

Walter de Gruyter GmbH

Subject

Inorganic Chemistry,Condensed Matter Physics,General Materials Science

Reference26 articles.

1. On the selective methylation of benzoyl and furoylthiocarbamates;ARKIVOC,2010

2. Utilizing Hirshfeld surface calculations, non-covalent interaction (NCI) plots and the calculation of interaction energies in the analysis of molecular packing;Acta Crystallogr,2019

3. Crystal structure determination and refinement via SIR2014;J. Appl. Cryst,2015

4. Bipodal benzoylthiocarbamic acid esters: crystal and molecular structures of R = Et (a polymorph), and of a binuclear Cu(I) complex, R = iPr;Z. Kristallogr. Cryst. Mater,2015

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