3-(3,5-Dichlorophenyl)benzene-1,2-diol
The title structure, C12H8Cl2O2, is a putative metabolite of 3,5-dichlorobiphenyl (PCB 14). The dihedral angle between the two benzene rings of the title compounds is 58.86 (4)°. In the crystal, it displays intra- and intermolecular O—H...O hydrogen bonding and intermolecular O—H...Cl hydrogen...chl...
| Main Authors: | , , |
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| Format: | Article |
| Language: | English |
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International Union of Crystallography
2019-09-01
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| Series: | IUCrData |
| Subjects: | |
| Online Access: | http://scripts.iucr.org/cgi-bin/paper?S2414314619012021 |
| _version_ | 1818475763952779264 |
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| author | Ram Dhakal Sean Parkin Hans-Joachim Lehmler |
| author_facet | Ram Dhakal Sean Parkin Hans-Joachim Lehmler |
| author_sort | Ram Dhakal |
| collection | DOAJ |
| description | The title structure, C12H8Cl2O2, is a putative metabolite of 3,5-dichlorobiphenyl (PCB 14). The dihedral angle between the two benzene rings of the title compounds is 58.86 (4)°. In the crystal, it displays intra- and intermolecular O—H...O hydrogen bonding and intermolecular O—H...Cl hydrogen...chlorine interactions. The intermolecular interactions form a two-dimensional network parallel to (010). |
| first_indexed | 2024-12-10T09:16:49Z |
| format | Article |
| id | doaj.art-f26be0329c304e7a80f36e027baed6f0 |
| institution | Directory Open Access Journal |
| issn | 2414-3146 |
| language | English |
| last_indexed | 2024-12-10T09:16:49Z |
| publishDate | 2019-09-01 |
| publisher | International Union of Crystallography |
| record_format | Article |
| series | IUCrData |
| spelling | doaj.art-f26be0329c304e7a80f36e027baed6f02022-12-22T01:54:50ZengInternational Union of CrystallographyIUCrData2414-31462019-09-0149x19120210.1107/S2414314619012021lh40503-(3,5-Dichlorophenyl)benzene-1,2-diolRam Dhakal0Sean Parkin1Hans-Joachim Lehmler2The University of Iowa, Department of Occupational and Environmental Health, University of Iowa Research Park, Iowa City, IA 52242, USADepartment of Chemistry, University of Kentucky, Chemistry-Physics Bldg, Lexington, KY 40506-0055, USAThe University of Iowa, Department of Occupational and Environmental Health, University of Iowa Research Park, Iowa City, IA 52242, USAThe title structure, C12H8Cl2O2, is a putative metabolite of 3,5-dichlorobiphenyl (PCB 14). The dihedral angle between the two benzene rings of the title compounds is 58.86 (4)°. In the crystal, it displays intra- and intermolecular O—H...O hydrogen bonding and intermolecular O—H...Cl hydrogen...chlorine interactions. The intermolecular interactions form a two-dimensional network parallel to (010).http://scripts.iucr.org/cgi-bin/paper?S2414314619012021dihedral anglehydroxylated compoundmetabolitepolychlorinated biphenylPCBcrystal structure |
| spellingShingle | Ram Dhakal Sean Parkin Hans-Joachim Lehmler 3-(3,5-Dichlorophenyl)benzene-1,2-diol IUCrData dihedral angle hydroxylated compound metabolite polychlorinated biphenyl PCB crystal structure |
| title | 3-(3,5-Dichlorophenyl)benzene-1,2-diol |
| title_full | 3-(3,5-Dichlorophenyl)benzene-1,2-diol |
| title_fullStr | 3-(3,5-Dichlorophenyl)benzene-1,2-diol |
| title_full_unstemmed | 3-(3,5-Dichlorophenyl)benzene-1,2-diol |
| title_short | 3-(3,5-Dichlorophenyl)benzene-1,2-diol |
| title_sort | 3 3 5 dichlorophenyl benzene 1 2 diol |
| topic | dihedral angle hydroxylated compound metabolite polychlorinated biphenyl PCB crystal structure |
| url | http://scripts.iucr.org/cgi-bin/paper?S2414314619012021 |
| work_keys_str_mv | AT ramdhakal 335dichlorophenylbenzene12diol AT seanparkin 335dichlorophenylbenzene12diol AT hansjoachimlehmler 335dichlorophenylbenzene12diol |