Crystal structure and Hirshfeld surface analysis of (E)-3-(benzylideneamino)-5-phenylthiazolidin-2-iminium bromide

The central thiazolidine ring of the title salt, C16H16N3S+·Br−, adopts an envelope conformation, with the C atom bearing the phenyl ring as the flap atom. In the crystal, the cations and anions are linked by N—H...Br hydrogen bonds, forming chains parallel to the b-axis direction. Hirshfeld surface...

Full description

Bibliographic Details
Main Authors:	Gulnara Sh. Duruskari, Mehmet Akkurt, Gunay Z. Mammadova, Taras Chyrka, Abel M. Maharramov
Format:	Article
Language:	English
Published:	International Union of Crystallography 2020-03-01
Series:	Acta Crystallographica Section E: Crystallographic Communications
Subjects:	crystal structure charge assisted hydrogen bonding thiazolidine ring envelope conformation hirshfeld surface analysis
Online Access:	http://scripts.iucr.org/cgi-bin/paper?S2056989020001899

id	doaj-bf4782dcc0e64b28a4e4b1b6cd76c9ec
record_format	Article
spelling	doaj-bf4782dcc0e64b28a4e4b1b6cd76c9ec2020-11-25T01:02:32ZengInternational Union of CrystallographyActa Crystallographica Section E: Crystallographic Communications2056-98902020-03-0176342743110.1107/S2056989020001899rz5269Crystal structure and Hirshfeld surface analysis of (E)-3-(benzylideneamino)-5-phenylthiazolidin-2-iminium bromideGulnara Sh. Duruskari0Mehmet Akkurt1Gunay Z. Mammadova2Taras Chyrka3Abel M. Maharramov4Organic Chemistry Department, Baku State University, Z. Xalilov str. 23, Az, 1148 Baku, AzerbaijanDepartment of Physics, Faculty of Sciences, Erciyes University, 38039 Kayseri, TurkeyOrganic Chemistry Department, Baku State University, Z. Xalilov str. 23, Az, 1148 Baku, AzerbaijanDepartment of Theoretical and Industrial Heat Engineering (TPT), National Technical University of Ukraine "Igor Sikorsky Kyiv Polytechnic Institute", 03056, Kyiv, UkraineOrganic Chemistry Department, Baku State University, Z. Xalilov str. 23, Az, 1148 Baku, AzerbaijanThe central thiazolidine ring of the title salt, C16H16N3S+·Br−, adopts an envelope conformation, with the C atom bearing the phenyl ring as the flap atom. In the crystal, the cations and anions are linked by N—H...Br hydrogen bonds, forming chains parallel to the b-axis direction. Hirshfeld surface analysis and two-dimensional fingerprint plots indicate that the most important contributions to the crystal packing are from H...H (46.4%), C...H/H...C (18.6%) and H...Br/Br...H (17.5%) interactions.http://scripts.iucr.org/cgi-bin/paper?S2056989020001899crystal structurecharge assisted hydrogen bondingthiazolidine ringenvelope conformationhirshfeld surface analysis
collection	DOAJ
language	English
format	Article
sources	DOAJ
author	Gulnara Sh. Duruskari Mehmet Akkurt Gunay Z. Mammadova Taras Chyrka Abel M. Maharramov
spellingShingle	Gulnara Sh. Duruskari Mehmet Akkurt Gunay Z. Mammadova Taras Chyrka Abel M. Maharramov Crystal structure and Hirshfeld surface analysis of (E)-3-(benzylideneamino)-5-phenylthiazolidin-2-iminium bromide Acta Crystallographica Section E: Crystallographic Communications crystal structure charge assisted hydrogen bonding thiazolidine ring envelope conformation hirshfeld surface analysis
author_facet	Gulnara Sh. Duruskari Mehmet Akkurt Gunay Z. Mammadova Taras Chyrka Abel M. Maharramov
author_sort	Gulnara Sh. Duruskari
title	Crystal structure and Hirshfeld surface analysis of (E)-3-(benzylideneamino)-5-phenylthiazolidin-2-iminium bromide
title_short	Crystal structure and Hirshfeld surface analysis of (E)-3-(benzylideneamino)-5-phenylthiazolidin-2-iminium bromide
title_full	Crystal structure and Hirshfeld surface analysis of (E)-3-(benzylideneamino)-5-phenylthiazolidin-2-iminium bromide
title_fullStr	Crystal structure and Hirshfeld surface analysis of (E)-3-(benzylideneamino)-5-phenylthiazolidin-2-iminium bromide
title_full_unstemmed	Crystal structure and Hirshfeld surface analysis of (E)-3-(benzylideneamino)-5-phenylthiazolidin-2-iminium bromide
title_sort	crystal structure and hirshfeld surface analysis of (e)-3-(benzylideneamino)-5-phenylthiazolidin-2-iminium bromide
publisher	International Union of Crystallography
series	Acta Crystallographica Section E: Crystallographic Communications
issn	2056-9890
publishDate	2020-03-01
description	The central thiazolidine ring of the title salt, C16H16N3S+·Br−, adopts an envelope conformation, with the C atom bearing the phenyl ring as the flap atom. In the crystal, the cations and anions are linked by N—H...Br hydrogen bonds, forming chains parallel to the b-axis direction. Hirshfeld surface analysis and two-dimensional fingerprint plots indicate that the most important contributions to the crystal packing are from H...H (46.4%), C...H/H...C (18.6%) and H...Br/Br...H (17.5%) interactions.
topic	crystal structure charge assisted hydrogen bonding thiazolidine ring envelope conformation hirshfeld surface analysis
url	http://scripts.iucr.org/cgi-bin/paper?S2056989020001899
work_keys_str_mv	AT gulnarashduruskari crystalstructureandhirshfeldsurfaceanalysisofe3benzylideneamino5phenylthiazolidin2iminiumbromide AT mehmetakkurt crystalstructureandhirshfeldsurfaceanalysisofe3benzylideneamino5phenylthiazolidin2iminiumbromide AT gunayzmammadova crystalstructureandhirshfeldsurfaceanalysisofe3benzylideneamino5phenylthiazolidin2iminiumbromide AT taraschyrka crystalstructureandhirshfeldsurfaceanalysisofe3benzylideneamino5phenylthiazolidin2iminiumbromide AT abelmmaharramov crystalstructureandhirshfeldsurfaceanalysisofe3benzylideneamino5phenylthiazolidin2iminiumbromide
_version_	1725204338505154560

Crystal structure and Hirshfeld surface analysis of (E)-3-(benzylideneamino)-5-phenylthiazolidin-2-iminium bromide

Similar Items