(2E)-3-(6-Methoxynaphthalen-2-yl)-1-[4-(methylsulfanyl)phenyl]prop-2-en-1-one
The asymmetric unit of the title compound, C21H18O2S, consists of two crystallographically independent molecules (A and B). The molecules exist in a trans conformation with respect to the central C=C bond. The naphthalene ring system makes dihedral angles of 51.62 (12) (molecule A) and...
Main Authors: | , , , , |
---|---|
Format: | Article |
Language: | English |
Published: |
International Union of Crystallography
2012-07-01
|
Series: | Acta Crystallographica Section E |
Online Access: | http://scripts.iucr.org/cgi-bin/paper?S1600536812028930 |
id |
doaj-f9a6e4392b554df68260a5c43e98d2bd |
---|---|
record_format |
Article |
spelling |
doaj-f9a6e4392b554df68260a5c43e98d2bd2020-11-25T01:00:17ZengInternational Union of CrystallographyActa Crystallographica Section E1600-53682012-07-01687o2277o227810.1107/S1600536812028930(2E)-3-(6-Methoxynaphthalen-2-yl)-1-[4-(methylsulfanyl)phenyl]prop-2-en-1-oneHoong-Kun FunTze Shyang ChiaMahesh PadakiArun M. IsloorA. F. IsmailThe asymmetric unit of the title compound, C21H18O2S, consists of two crystallographically independent molecules (A and B). The molecules exist in a trans conformation with respect to the central C=C bond. The naphthalene ring system makes dihedral angles of 51.62 (12) (molecule A) and 52.69 (12)° (molecule B) with the benzene ring. In molecule A, the prop-2-en-1-one group forms dihedral angles of 22.84 (15) and 29.02 (12)° with the adjacent naphthalene ring system and benzene ring, respectively, whereas the corresponding angles are 30.04 (12) and 23.33 (12)° in molecule B. In the crystal, molecules are linked by intermolecular C—H...O hydrogen bonds into head-to-tail chains along the a axis. The crystal packing also features C—H...π interactions. The crystal studied was a pseudo-merohedral twin with twin law (100 0-10 00-1) and a refined component ratio of 0.6103 (16):0.3897 (16).http://scripts.iucr.org/cgi-bin/paper?S1600536812028930 |
collection |
DOAJ |
language |
English |
format |
Article |
sources |
DOAJ |
author |
Hoong-Kun Fun Tze Shyang Chia Mahesh Padaki Arun M. Isloor A. F. Ismail |
spellingShingle |
Hoong-Kun Fun Tze Shyang Chia Mahesh Padaki Arun M. Isloor A. F. Ismail (2E)-3-(6-Methoxynaphthalen-2-yl)-1-[4-(methylsulfanyl)phenyl]prop-2-en-1-one Acta Crystallographica Section E |
author_facet |
Hoong-Kun Fun Tze Shyang Chia Mahesh Padaki Arun M. Isloor A. F. Ismail |
author_sort |
Hoong-Kun Fun |
title |
(2E)-3-(6-Methoxynaphthalen-2-yl)-1-[4-(methylsulfanyl)phenyl]prop-2-en-1-one |
title_short |
(2E)-3-(6-Methoxynaphthalen-2-yl)-1-[4-(methylsulfanyl)phenyl]prop-2-en-1-one |
title_full |
(2E)-3-(6-Methoxynaphthalen-2-yl)-1-[4-(methylsulfanyl)phenyl]prop-2-en-1-one |
title_fullStr |
(2E)-3-(6-Methoxynaphthalen-2-yl)-1-[4-(methylsulfanyl)phenyl]prop-2-en-1-one |
title_full_unstemmed |
(2E)-3-(6-Methoxynaphthalen-2-yl)-1-[4-(methylsulfanyl)phenyl]prop-2-en-1-one |
title_sort |
(2e)-3-(6-methoxynaphthalen-2-yl)-1-[4-(methylsulfanyl)phenyl]prop-2-en-1-one |
publisher |
International Union of Crystallography |
series |
Acta Crystallographica Section E |
issn |
1600-5368 |
publishDate |
2012-07-01 |
description |
The asymmetric unit of the title compound, C21H18O2S, consists of two crystallographically independent molecules (A and B). The molecules exist in a trans conformation with respect to the central C=C bond. The naphthalene ring system makes dihedral angles of 51.62 (12) (molecule A) and 52.69 (12)° (molecule B) with the benzene ring. In molecule A, the prop-2-en-1-one group forms dihedral angles of 22.84 (15) and 29.02 (12)° with the adjacent naphthalene ring system and benzene ring, respectively, whereas the corresponding angles are 30.04 (12) and 23.33 (12)° in molecule B. In the crystal, molecules are linked by intermolecular C—H...O hydrogen bonds into head-to-tail chains along the a axis. The crystal packing also features C—H...π interactions. The crystal studied was a pseudo-merohedral twin with twin law (100 0-10 00-1) and a refined component ratio of 0.6103 (16):0.3897 (16). |
url |
http://scripts.iucr.org/cgi-bin/paper?S1600536812028930 |
work_keys_str_mv |
AT hoongkunfun 2e36methoxynaphthalen2yl14methylsulfanylphenylprop2en1one AT tzeshyangchia 2e36methoxynaphthalen2yl14methylsulfanylphenylprop2en1one AT maheshpadaki 2e36methoxynaphthalen2yl14methylsulfanylphenylprop2en1one AT arunmisloor 2e36methoxynaphthalen2yl14methylsulfanylphenylprop2en1one AT afismail 2e36methoxynaphthalen2yl14methylsulfanylphenylprop2en1one |
_version_ |
1725214237237706752 |