Crystal structure of (E)-2-[1-(benzo[d][1,3]dioxol-5-yl)ethyl-idene]-N-methyl-hydrazine-1-carbo-thio-amide.

Acta Crystallogr E Crystallogr Commun

Departamento de Química, Universidade Federal de Sergipe, Av. Marechal Rondon s/n, 49100-000 São Cristóvão-SE, Brazil.

Published: January 2015

In the title compound, C11H13N3O2S, there is a short intra-molecular N-H⋯N contact. The benzo[d][1,3]dioxole ring system is approximately planar (r.m.s. deviation = 0.025 Å) and makes a dihedral angle of 56.83 (6)° with the mean plane of the methyl-thio-semicarbazone fragment [-N-N-C(=S)-N-C; maximum deviation = 0.1111 (14) Å for the imino N atom]. In the crystal, mol-ecules are linked via pairs of N-H⋯S hydrogen bonds, forming inversion dimers. The dimers are connected by N-H⋯S hydrogen bonds into layers parallel to (100). The H atoms of both methyl groups are disordered over two sets of sites and were refined with occupancy ratios of 0.5:0.5 and 0.75:0.25.

Download full-text PDF

Source
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC4331916PMC
http://dx.doi.org/10.1107/S2056989014026395DOI Listing

Publication Analysis

Top Keywords

n-h⋯s hydrogen
8
hydrogen bonds
8
crystal structure
4
structure e-2-[1-benzo[d][13]dioxol-5-ylethyl-idene]-n-methyl-hydrazine-1-carbo-thio-amide
4
e-2-[1-benzo[d][13]dioxol-5-ylethyl-idene]-n-methyl-hydrazine-1-carbo-thio-amide title
4
title compound
4
compound c11h13n3o2s
4
c11h13n3o2s short
4
short intra-molecular
4
intra-molecular n-h⋯n
4

Similar Publications

Want AI Summaries of new PubMed Abstracts delivered to your In-box?

Enter search terms and have AI summaries delivered each week - change queries or unsubscribe any time!