2,3-Dichloro-3′,4′-dihydroxybiphenyl

The title compound [systematic name: 4-(2,3-Dichlorophenyl)benzene-1,2-diol], C12H8Cl2O2, is a putative dihydroxylated metabolite of 2,3-dichlorobiphenyl (PCB 5). The title structure displays intramolecular O—H...O hydrogen bonding, and the π–π stacking distance between inversion-related chlorinated...
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Autor*in:	Ram Dhakal [verfasserIn] Sean Parkin [verfasserIn] Hans-Joachim Lehmler [verfasserIn]

Format:	E-Artikel
Sprache:	Englisch

Erschienen:	2019

Schlagwörter:	crystal structure polychlorinated biphenyls (PCBs) metabolites hydroxylated compound

Übergeordnetes Werk:	In: IUCrData - International Union of Crystallography, 2016, 4(2019), 5, p x190662
Übergeordnetes Werk:	volume:4 ; year:2019 ; number:5, p x190662

Links:	Link aufrufen Link aufrufen Link aufrufen Journal toc

DOI / URN:	10.1107/S241431461900662X

Katalog-ID:	DOAJ04005313X

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allfields	10.1107/S241431461900662X doi (DE-627)DOAJ04005313X (DE-599)DOAJ814d9c73fbf443698c9548683fe62cf4 DE-627 ger DE-627 rakwb eng QD901-999 Ram Dhakal verfasserin aut 2,3-Dichloro-3′,4′-dihydroxybiphenyl 2019 Text txt rdacontent Computermedien c rdamedia Online-Ressource cr rdacarrier The title compound [systematic name: 4-(2,3-Dichlorophenyl)benzene-1,2-diol], C12H8Cl2O2, is a putative dihydroxylated metabolite of 2,3-dichlorobiphenyl (PCB 5). The title structure displays intramolecular O—H...O hydrogen bonding, and the π–π stacking distance between inversion-related chlorinated benzene rings of the title compound is 3.371 (3) Å. The dihedral angle between two benzene rings is 59.39 (8)°. crystal structure polychlorinated biphenyls (PCBs) metabolites hydroxylated compound Crystallography Sean Parkin verfasserin aut Hans-Joachim Lehmler verfasserin aut In IUCrData International Union of Crystallography, 2016 4(2019), 5, p x190662 (DE-627)848322010 (DE-600)2847714-5 24143146 nnns volume:4 year:2019 number:5, p x190662 https://doi.org/10.1107/S241431461900662X kostenfrei https://doaj.org/article/814d9c73fbf443698c9548683fe62cf4 kostenfrei http://scripts.iucr.org/cgi-bin/paper?S241431461900662X kostenfrei https://doaj.org/toc/2414-3146 Journal toc kostenfrei GBV_USEFLAG_A SYSFLAG_A GBV_DOAJ GBV_ILN_20 GBV_ILN_22 GBV_ILN_23 GBV_ILN_24 GBV_ILN_39 GBV_ILN_40 GBV_ILN_60 GBV_ILN_62 GBV_ILN_63 GBV_ILN_65 GBV_ILN_69 GBV_ILN_70 GBV_ILN_73 GBV_ILN_95 GBV_ILN_105 GBV_ILN_110 GBV_ILN_151 GBV_ILN_161 GBV_ILN_170 GBV_ILN_213 GBV_ILN_230 GBV_ILN_285 GBV_ILN_293 GBV_ILN_370 GBV_ILN_602 GBV_ILN_2014 GBV_ILN_4012 GBV_ILN_4037 GBV_ILN_4112 GBV_ILN_4125 GBV_ILN_4126 GBV_ILN_4249 GBV_ILN_4305 GBV_ILN_4306 GBV_ILN_4307 GBV_ILN_4313 GBV_ILN_4322 GBV_ILN_4323 GBV_ILN_4324 GBV_ILN_4325 GBV_ILN_4335 GBV_ILN_4338 GBV_ILN_4367 GBV_ILN_4700 AR 4 2019 5, p x190662
spelling	10.1107/S241431461900662X doi (DE-627)DOAJ04005313X (DE-599)DOAJ814d9c73fbf443698c9548683fe62cf4 DE-627 ger DE-627 rakwb eng QD901-999 Ram Dhakal verfasserin aut 2,3-Dichloro-3′,4′-dihydroxybiphenyl 2019 Text txt rdacontent Computermedien c rdamedia Online-Ressource cr rdacarrier The title compound [systematic name: 4-(2,3-Dichlorophenyl)benzene-1,2-diol], C12H8Cl2O2, is a putative dihydroxylated metabolite of 2,3-dichlorobiphenyl (PCB 5). The title structure displays intramolecular O—H...O hydrogen bonding, and the π–π stacking distance between inversion-related chlorinated benzene rings of the title compound is 3.371 (3) Å. The dihedral angle between two benzene rings is 59.39 (8)°. crystal structure polychlorinated biphenyls (PCBs) metabolites hydroxylated compound Crystallography Sean Parkin verfasserin aut Hans-Joachim Lehmler verfasserin aut In IUCrData International Union of Crystallography, 2016 4(2019), 5, p x190662 (DE-627)848322010 (DE-600)2847714-5 24143146 nnns volume:4 year:2019 number:5, p x190662 https://doi.org/10.1107/S241431461900662X kostenfrei https://doaj.org/article/814d9c73fbf443698c9548683fe62cf4 kostenfrei http://scripts.iucr.org/cgi-bin/paper?S241431461900662X kostenfrei https://doaj.org/toc/2414-3146 Journal toc kostenfrei GBV_USEFLAG_A SYSFLAG_A GBV_DOAJ GBV_ILN_20 GBV_ILN_22 GBV_ILN_23 GBV_ILN_24 GBV_ILN_39 GBV_ILN_40 GBV_ILN_60 GBV_ILN_62 GBV_ILN_63 GBV_ILN_65 GBV_ILN_69 GBV_ILN_70 GBV_ILN_73 GBV_ILN_95 GBV_ILN_105 GBV_ILN_110 GBV_ILN_151 GBV_ILN_161 GBV_ILN_170 GBV_ILN_213 GBV_ILN_230 GBV_ILN_285 GBV_ILN_293 GBV_ILN_370 GBV_ILN_602 GBV_ILN_2014 GBV_ILN_4012 GBV_ILN_4037 GBV_ILN_4112 GBV_ILN_4125 GBV_ILN_4126 GBV_ILN_4249 GBV_ILN_4305 GBV_ILN_4306 GBV_ILN_4307 GBV_ILN_4313 GBV_ILN_4322 GBV_ILN_4323 GBV_ILN_4324 GBV_ILN_4325 GBV_ILN_4335 GBV_ILN_4338 GBV_ILN_4367 GBV_ILN_4700 AR 4 2019 5, p x190662
allfields_unstemmed	10.1107/S241431461900662X doi (DE-627)DOAJ04005313X (DE-599)DOAJ814d9c73fbf443698c9548683fe62cf4 DE-627 ger DE-627 rakwb eng QD901-999 Ram Dhakal verfasserin aut 2,3-Dichloro-3′,4′-dihydroxybiphenyl 2019 Text txt rdacontent Computermedien c rdamedia Online-Ressource cr rdacarrier The title compound [systematic name: 4-(2,3-Dichlorophenyl)benzene-1,2-diol], C12H8Cl2O2, is a putative dihydroxylated metabolite of 2,3-dichlorobiphenyl (PCB 5). The title structure displays intramolecular O—H...O hydrogen bonding, and the π–π stacking distance between inversion-related chlorinated benzene rings of the title compound is 3.371 (3) Å. The dihedral angle between two benzene rings is 59.39 (8)°. crystal structure polychlorinated biphenyls (PCBs) metabolites hydroxylated compound Crystallography Sean Parkin verfasserin aut Hans-Joachim Lehmler verfasserin aut In IUCrData International Union of Crystallography, 2016 4(2019), 5, p x190662 (DE-627)848322010 (DE-600)2847714-5 24143146 nnns volume:4 year:2019 number:5, p x190662 https://doi.org/10.1107/S241431461900662X kostenfrei https://doaj.org/article/814d9c73fbf443698c9548683fe62cf4 kostenfrei http://scripts.iucr.org/cgi-bin/paper?S241431461900662X kostenfrei https://doaj.org/toc/2414-3146 Journal toc kostenfrei GBV_USEFLAG_A SYSFLAG_A GBV_DOAJ GBV_ILN_20 GBV_ILN_22 GBV_ILN_23 GBV_ILN_24 GBV_ILN_39 GBV_ILN_40 GBV_ILN_60 GBV_ILN_62 GBV_ILN_63 GBV_ILN_65 GBV_ILN_69 GBV_ILN_70 GBV_ILN_73 GBV_ILN_95 GBV_ILN_105 GBV_ILN_110 GBV_ILN_151 GBV_ILN_161 GBV_ILN_170 GBV_ILN_213 GBV_ILN_230 GBV_ILN_285 GBV_ILN_293 GBV_ILN_370 GBV_ILN_602 GBV_ILN_2014 GBV_ILN_4012 GBV_ILN_4037 GBV_ILN_4112 GBV_ILN_4125 GBV_ILN_4126 GBV_ILN_4249 GBV_ILN_4305 GBV_ILN_4306 GBV_ILN_4307 GBV_ILN_4313 GBV_ILN_4322 GBV_ILN_4323 GBV_ILN_4324 GBV_ILN_4325 GBV_ILN_4335 GBV_ILN_4338 GBV_ILN_4367 GBV_ILN_4700 AR 4 2019 5, p x190662
allfieldsGer	10.1107/S241431461900662X doi (DE-627)DOAJ04005313X (DE-599)DOAJ814d9c73fbf443698c9548683fe62cf4 DE-627 ger DE-627 rakwb eng QD901-999 Ram Dhakal verfasserin aut 2,3-Dichloro-3′,4′-dihydroxybiphenyl 2019 Text txt rdacontent Computermedien c rdamedia Online-Ressource cr rdacarrier The title compound [systematic name: 4-(2,3-Dichlorophenyl)benzene-1,2-diol], C12H8Cl2O2, is a putative dihydroxylated metabolite of 2,3-dichlorobiphenyl (PCB 5). The title structure displays intramolecular O—H...O hydrogen bonding, and the π–π stacking distance between inversion-related chlorinated benzene rings of the title compound is 3.371 (3) Å. The dihedral angle between two benzene rings is 59.39 (8)°. crystal structure polychlorinated biphenyls (PCBs) metabolites hydroxylated compound Crystallography Sean Parkin verfasserin aut Hans-Joachim Lehmler verfasserin aut In IUCrData International Union of Crystallography, 2016 4(2019), 5, p x190662 (DE-627)848322010 (DE-600)2847714-5 24143146 nnns volume:4 year:2019 number:5, p x190662 https://doi.org/10.1107/S241431461900662X kostenfrei https://doaj.org/article/814d9c73fbf443698c9548683fe62cf4 kostenfrei http://scripts.iucr.org/cgi-bin/paper?S241431461900662X kostenfrei https://doaj.org/toc/2414-3146 Journal toc kostenfrei GBV_USEFLAG_A SYSFLAG_A GBV_DOAJ GBV_ILN_20 GBV_ILN_22 GBV_ILN_23 GBV_ILN_24 GBV_ILN_39 GBV_ILN_40 GBV_ILN_60 GBV_ILN_62 GBV_ILN_63 GBV_ILN_65 GBV_ILN_69 GBV_ILN_70 GBV_ILN_73 GBV_ILN_95 GBV_ILN_105 GBV_ILN_110 GBV_ILN_151 GBV_ILN_161 GBV_ILN_170 GBV_ILN_213 GBV_ILN_230 GBV_ILN_285 GBV_ILN_293 GBV_ILN_370 GBV_ILN_602 GBV_ILN_2014 GBV_ILN_4012 GBV_ILN_4037 GBV_ILN_4112 GBV_ILN_4125 GBV_ILN_4126 GBV_ILN_4249 GBV_ILN_4305 GBV_ILN_4306 GBV_ILN_4307 GBV_ILN_4313 GBV_ILN_4322 GBV_ILN_4323 GBV_ILN_4324 GBV_ILN_4325 GBV_ILN_4335 GBV_ILN_4338 GBV_ILN_4367 GBV_ILN_4700 AR 4 2019 5, p x190662
allfieldsSound	10.1107/S241431461900662X doi (DE-627)DOAJ04005313X (DE-599)DOAJ814d9c73fbf443698c9548683fe62cf4 DE-627 ger DE-627 rakwb eng QD901-999 Ram Dhakal verfasserin aut 2,3-Dichloro-3′,4′-dihydroxybiphenyl 2019 Text txt rdacontent Computermedien c rdamedia Online-Ressource cr rdacarrier The title compound [systematic name: 4-(2,3-Dichlorophenyl)benzene-1,2-diol], C12H8Cl2O2, is a putative dihydroxylated metabolite of 2,3-dichlorobiphenyl (PCB 5). The title structure displays intramolecular O—H...O hydrogen bonding, and the π–π stacking distance between inversion-related chlorinated benzene rings of the title compound is 3.371 (3) Å. The dihedral angle between two benzene rings is 59.39 (8)°. crystal structure polychlorinated biphenyls (PCBs) metabolites hydroxylated compound Crystallography Sean Parkin verfasserin aut Hans-Joachim Lehmler verfasserin aut In IUCrData International Union of Crystallography, 2016 4(2019), 5, p x190662 (DE-627)848322010 (DE-600)2847714-5 24143146 nnns volume:4 year:2019 number:5, p x190662 https://doi.org/10.1107/S241431461900662X kostenfrei https://doaj.org/article/814d9c73fbf443698c9548683fe62cf4 kostenfrei http://scripts.iucr.org/cgi-bin/paper?S241431461900662X kostenfrei https://doaj.org/toc/2414-3146 Journal toc kostenfrei GBV_USEFLAG_A SYSFLAG_A GBV_DOAJ GBV_ILN_20 GBV_ILN_22 GBV_ILN_23 GBV_ILN_24 GBV_ILN_39 GBV_ILN_40 GBV_ILN_60 GBV_ILN_62 GBV_ILN_63 GBV_ILN_65 GBV_ILN_69 GBV_ILN_70 GBV_ILN_73 GBV_ILN_95 GBV_ILN_105 GBV_ILN_110 GBV_ILN_151 GBV_ILN_161 GBV_ILN_170 GBV_ILN_213 GBV_ILN_230 GBV_ILN_285 GBV_ILN_293 GBV_ILN_370 GBV_ILN_602 GBV_ILN_2014 GBV_ILN_4012 GBV_ILN_4037 GBV_ILN_4112 GBV_ILN_4125 GBV_ILN_4126 GBV_ILN_4249 GBV_ILN_4305 GBV_ILN_4306 GBV_ILN_4307 GBV_ILN_4313 GBV_ILN_4322 GBV_ILN_4323 GBV_ILN_4324 GBV_ILN_4325 GBV_ILN_4335 GBV_ILN_4338 GBV_ILN_4367 GBV_ILN_4700 AR 4 2019 5, p x190662
language	English
source	In IUCrData 4(2019), 5, p x190662 volume:4 year:2019 number:5, p x190662
sourceStr	In IUCrData 4(2019), 5, p x190662 volume:4 year:2019 number:5, p x190662
format_phy_str_mv	Article
institution	findex.gbv.de
topic_facet	crystal structure polychlorinated biphenyls (PCBs) metabolites hydroxylated compound Crystallography
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authorswithroles_txt_mv	Ram Dhakal @@aut@@ Sean Parkin @@aut@@ Hans-Joachim Lehmler @@aut@@
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callnumber-first	Q - Science
author	Ram Dhakal
spellingShingle	Ram Dhakal misc QD901-999 misc crystal structure misc polychlorinated biphenyls (PCBs) misc metabolites misc hydroxylated compound misc Crystallography 2,3-Dichloro-3′,4′-dihydroxybiphenyl
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topic_title	QD901-999 2,3-Dichloro-3′,4′-dihydroxybiphenyl crystal structure polychlorinated biphenyls (PCBs) metabolites hydroxylated compound
topic	misc QD901-999 misc crystal structure misc polychlorinated biphenyls (PCBs) misc metabolites misc hydroxylated compound misc Crystallography
topic_unstemmed	misc QD901-999 misc crystal structure misc polychlorinated biphenyls (PCBs) misc metabolites misc hydroxylated compound misc Crystallography
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title	2,3-Dichloro-3′,4′-dihydroxybiphenyl
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title_full	2,3-Dichloro-3′,4′-dihydroxybiphenyl
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title_sort	2,3-dichloro-3′,4′-dihydroxybiphenyl
callnumber	QD901-999
title_auth	2,3-Dichloro-3′,4′-dihydroxybiphenyl
abstract	The title compound [systematic name: 4-(2,3-Dichlorophenyl)benzene-1,2-diol], C12H8Cl2O2, is a putative dihydroxylated metabolite of 2,3-dichlorobiphenyl (PCB 5). The title structure displays intramolecular O—H...O hydrogen bonding, and the π–π stacking distance between inversion-related chlorinated benzene rings of the title compound is 3.371 (3) Å. The dihedral angle between two benzene rings is 59.39 (8)°.
abstractGer	The title compound [systematic name: 4-(2,3-Dichlorophenyl)benzene-1,2-diol], C12H8Cl2O2, is a putative dihydroxylated metabolite of 2,3-dichlorobiphenyl (PCB 5). The title structure displays intramolecular O—H...O hydrogen bonding, and the π–π stacking distance between inversion-related chlorinated benzene rings of the title compound is 3.371 (3) Å. The dihedral angle between two benzene rings is 59.39 (8)°.
abstract_unstemmed	The title compound [systematic name: 4-(2,3-Dichlorophenyl)benzene-1,2-diol], C12H8Cl2O2, is a putative dihydroxylated metabolite of 2,3-dichlorobiphenyl (PCB 5). The title structure displays intramolecular O—H...O hydrogen bonding, and the π–π stacking distance between inversion-related chlorinated benzene rings of the title compound is 3.371 (3) Å. The dihedral angle between two benzene rings is 59.39 (8)°.
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title_short	2,3-Dichloro-3′,4′-dihydroxybiphenyl
url	https://doi.org/10.1107/S241431461900662X https://doaj.org/article/814d9c73fbf443698c9548683fe62cf4 http://scripts.iucr.org/cgi-bin/paper?S241431461900662X https://doaj.org/toc/2414-3146
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author2	Sean Parkin Hans-Joachim Lehmler
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up_date	2024-07-04T01:46:24.914Z
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