3-(Adamantan-1-yl)-4-ethyl-1-{[4-(2-methoxyphenyl)piperazin-1-yl]methyl}-1H-1,2,4-triazole-5(4H)-thione

3-(Adamantan-1-yl)-4-ethyl-1-{[4-(2-methoxyphenyl)piperazin-1-yl]methyl}-1H-1,2,4-triazole-5(4H)-thione

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In the title compound, C26H37N5OS, the piperazine ring adopts a chair conformation. The triazole ring forms dihedral angles of 67.85 (9) and 59.41 (9)° with the piperazine and benzene rings, respectively, resulting in an approximate V-shaped conformation for the molecule. An intramolecular C—H...O h...

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Main Authors: Ali A. El-Emam, Hanaa M. Al-Tuwaijri, Ebtehal S. Al-Abdullah, C. S. Chidan Kumar, Hoong-Kun Fun
Format: Article
Language:English
Published: International Union of Crystallography 2014-01-01
Series:Acta Crystallographica Section E
Online Access:http://scripts.iucr.org/cgi-bin/paper?S1600536813032789
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spelling doaj-46f9e71f213e4944bc171c62017a92722020-11-25T01:27:27ZengInternational Union of CrystallographyActa Crystallographica Section E1600-53682014-01-01701o25o2610.1107/S1600536813032789rz50993-(Adamantan-1-yl)-4-ethyl-1-{[4-(2-methoxyphenyl)piperazin-1-yl]methyl}-1H-1,2,4-triazole-5(4H)-thioneAli A. El-Emam0Hanaa M. Al-Tuwaijri1Ebtehal S. Al-Abdullah2C. S. Chidan Kumar3Hoong-Kun Fun4Department of Pharmaceutical Chemistry, College of Pharmacy, King Saud University, PO Box 2457, Riaydh 11451, Saudi ArabiaDepartment of Pharmaceutical Chemistry, College of Pharmacy, King Saud University, PO Box 2457, Riaydh 11451, Saudi ArabiaDepartment of Pharmaceutical Chemistry, College of Pharmacy, King Saud University, PO Box 2457, Riaydh 11451, Saudi ArabiaX-ray Crystallography Unit, School of Physics, Universiti Sains Malaysia, 11800 USM, Penang, MalaysiaDepartment of Pharmaceutical Chemistry, College of Pharmacy, King Saud University, PO Box 2457, Riaydh 11451, Saudi ArabiaIn the title compound, C26H37N5OS, the piperazine ring adopts a chair conformation. The triazole ring forms dihedral angles of 67.85 (9) and 59.41 (9)° with the piperazine and benzene rings, respectively, resulting in an approximate V-shaped conformation for the molecule. An intramolecular C—H...O hydrogen bond generates an S(6) ring motif. The crystal structure features C—H...π interactions, producing a two-dimensional supramolecular architecture.http://scripts.iucr.org/cgi-bin/paper?S1600536813032789
collection DOAJ
language English
format Article
sources DOAJ
author Ali A. El-Emam
Hanaa M. Al-Tuwaijri
Ebtehal S. Al-Abdullah
C. S. Chidan Kumar
Hoong-Kun Fun
spellingShingle Ali A. El-Emam
Hanaa M. Al-Tuwaijri
Ebtehal S. Al-Abdullah
C. S. Chidan Kumar
Hoong-Kun Fun
3-(Adamantan-1-yl)-4-ethyl-1-{[4-(2-methoxyphenyl)piperazin-1-yl]methyl}-1H-1,2,4-triazole-5(4H)-thione
Acta Crystallographica Section E
author_facet Ali A. El-Emam
Hanaa M. Al-Tuwaijri
Ebtehal S. Al-Abdullah
C. S. Chidan Kumar
Hoong-Kun Fun
author_sort Ali A. El-Emam
title 3-(Adamantan-1-yl)-4-ethyl-1-{[4-(2-methoxyphenyl)piperazin-1-yl]methyl}-1H-1,2,4-triazole-5(4H)-thione
title_short 3-(Adamantan-1-yl)-4-ethyl-1-{[4-(2-methoxyphenyl)piperazin-1-yl]methyl}-1H-1,2,4-triazole-5(4H)-thione
title_full 3-(Adamantan-1-yl)-4-ethyl-1-{[4-(2-methoxyphenyl)piperazin-1-yl]methyl}-1H-1,2,4-triazole-5(4H)-thione
title_fullStr 3-(Adamantan-1-yl)-4-ethyl-1-{[4-(2-methoxyphenyl)piperazin-1-yl]methyl}-1H-1,2,4-triazole-5(4H)-thione
title_full_unstemmed 3-(Adamantan-1-yl)-4-ethyl-1-{[4-(2-methoxyphenyl)piperazin-1-yl]methyl}-1H-1,2,4-triazole-5(4H)-thione
title_sort 3-(adamantan-1-yl)-4-ethyl-1-{[4-(2-methoxyphenyl)piperazin-1-yl]methyl}-1h-1,2,4-triazole-5(4h)-thione
publisher International Union of Crystallography
series Acta Crystallographica Section E
issn 1600-5368
publishDate 2014-01-01
description In the title compound, C26H37N5OS, the piperazine ring adopts a chair conformation. The triazole ring forms dihedral angles of 67.85 (9) and 59.41 (9)° with the piperazine and benzene rings, respectively, resulting in an approximate V-shaped conformation for the molecule. An intramolecular C—H...O hydrogen bond generates an S(6) ring motif. The crystal structure features C—H...π interactions, producing a two-dimensional supramolecular architecture.
url http://scripts.iucr.org/cgi-bin/paper?S1600536813032789
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AT hanaamaltuwaijri 3adamantan1yl4ethyl142methoxyphenylpiperazin1ylmethyl1h124triazole54hthione
AT ebtehalsalabdullah 3adamantan1yl4ethyl142methoxyphenylpiperazin1ylmethyl1h124triazole54hthione
AT cschidankumar 3adamantan1yl4ethyl142methoxyphenylpiperazin1ylmethyl1h124triazole54hthione
AT hoongkunfun 3adamantan1yl4ethyl142methoxyphenylpiperazin1ylmethyl1h124triazole54hthione
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