4-(3-Bromopropyloxy)-1-hydroxy-9,10-anthraquinone

4-(3-Bromopropyloxy)-1-hydroxy-9,10-anthraquinone

In the molecule of the title compound, C17H13BrO4, the anthraquinone ring system is slightly bent, with a dihedral angle of 169.99 (7)° between the planes of the two benzene rings. The side chain (O—C—C—C—Br) has a gauche–gauche conformation, as indicated by the O—C—C—C and C—C—C—Br torsion angles o...

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Bibliographic Details
Main Authors: Natsumi Ohira, Munenori Takehara, Yoshinori Inoue, Chitoshi Kitamura
Format: Article
Language:English
Published: International Union of Crystallography 2016-05-01
Series:IUCrData
Subjects:
crystal structure
anthraquinone
hydrogen bonds
Online Access:http://scripts.iucr.org/cgi-bin/paper?S2414314616007537
id doaj-1440eea3d7d34c1d8dca3def9ca76685
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spelling doaj-1440eea3d7d34c1d8dca3def9ca766852020-11-24T23:23:09ZengInternational Union of CrystallographyIUCrData2414-31462016-05-0115x16075310.1107/S2414314616007537pk40054-(3-Bromopropyloxy)-1-hydroxy-9,10-anthraquinoneNatsumi Ohira0Munenori Takehara1Yoshinori Inoue2Chitoshi Kitamura3Department of Materials Science, School of Engineering, The University of Shiga Prefecture, 2500 Hassaka-cho, Hikone, Shiga 522-8533, JapanDepartment of Materials Science, School of Engineering, The University of Shiga Prefecture, 2500 Hassaka-cho, Hikone, Shiga 522-8533, JapanDepartment of Materials Science, School of Engineering, The University of Shiga Prefecture, 2500 Hassaka-cho, Hikone, Shiga 522-8533, JapanDepartment of Materials Science, School of Engineering, The University of Shiga Prefecture, 2500 Hassaka-cho, Hikone, Shiga 522-8533, JapanIn the molecule of the title compound, C17H13BrO4, the anthraquinone ring system is slightly bent, with a dihedral angle of 169.99 (7)° between the planes of the two benzene rings. The side chain (O—C—C—C—Br) has a gauche–gauche conformation, as indicated by the O—C—C—C and C—C—C—Br torsion angles of −66.9 (2) and −65.8 (2)°, respectively. In addition, there is an intramolecular O—H...O hydrogen bond enclosing an S(6) ring motif. The hydrogen-bond donor is bifurcated; in the crystal, a pair of O—H...O hydrogen bonds connects two molecules, forming an inversion dimer with an R22(12) ring motif.http://scripts.iucr.org/cgi-bin/paper?S2414314616007537crystal structureanthraquinonehydrogen bonds
collection DOAJ
language English
format Article
sources DOAJ
author Natsumi Ohira
Munenori Takehara
Yoshinori Inoue
Chitoshi Kitamura
spellingShingle Natsumi Ohira
Munenori Takehara
Yoshinori Inoue
Chitoshi Kitamura
4-(3-Bromopropyloxy)-1-hydroxy-9,10-anthraquinone
IUCrData
crystal structure
anthraquinone
hydrogen bonds
author_facet Natsumi Ohira
Munenori Takehara
Yoshinori Inoue
Chitoshi Kitamura
author_sort Natsumi Ohira
title 4-(3-Bromopropyloxy)-1-hydroxy-9,10-anthraquinone
title_short 4-(3-Bromopropyloxy)-1-hydroxy-9,10-anthraquinone
title_full 4-(3-Bromopropyloxy)-1-hydroxy-9,10-anthraquinone
title_fullStr 4-(3-Bromopropyloxy)-1-hydroxy-9,10-anthraquinone
title_full_unstemmed 4-(3-Bromopropyloxy)-1-hydroxy-9,10-anthraquinone
title_sort 4-(3-bromopropyloxy)-1-hydroxy-9,10-anthraquinone
publisher International Union of Crystallography
series IUCrData
issn 2414-3146
publishDate 2016-05-01
description In the molecule of the title compound, C17H13BrO4, the anthraquinone ring system is slightly bent, with a dihedral angle of 169.99 (7)° between the planes of the two benzene rings. The side chain (O—C—C—C—Br) has a gauche–gauche conformation, as indicated by the O—C—C—C and C—C—C—Br torsion angles of −66.9 (2) and −65.8 (2)°, respectively. In addition, there is an intramolecular O—H...O hydrogen bond enclosing an S(6) ring motif. The hydrogen-bond donor is bifurcated; in the crystal, a pair of O—H...O hydrogen bonds connects two molecules, forming an inversion dimer with an R22(12) ring motif.
topic crystal structure
anthraquinone
hydrogen bonds
url http://scripts.iucr.org/cgi-bin/paper?S2414314616007537
work_keys_str_mv AT natsumiohira 43bromopropyloxy1hydroxy910anthraquinone
AT munenoritakehara 43bromopropyloxy1hydroxy910anthraquinone
AT yoshinoriinoue 43bromopropyloxy1hydroxy910anthraquinone
AT chitoshikitamura 43bromopropyloxy1hydroxy910anthraquinone
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