(3Z)-5-Chloro-3-(hydroxyimino)indolin-2-one
In the title compound, C8H5ClN2O2 (common name: 5-chloroisatin 3-oxime), the molecular structure deviates slightly from the ideal planarity, with a maximum deviation of 0.0478 (8) Å for the non-H atoms. In the crystal, molecules are linked by N—H...O interactions, building centrosymmetric dimers wit...
| Main Authors: | , , , , |
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| Format: | Article |
| Language: | English |
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International Union of Crystallography
2016-10-01
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| Series: | IUCrData |
| Subjects: | |
| Online Access: | http://scripts.iucr.org/cgi-bin/paper?S2414314616015066 |
| _version_ | 1811270497314275328 |
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| author | Bianca Barreto Martins Vanessa Carratu Gervini Fabricio Carvalho Pires Adailton João Bortoluzzi Adriano Bof de Oliveira |
| author_facet | Bianca Barreto Martins Vanessa Carratu Gervini Fabricio Carvalho Pires Adailton João Bortoluzzi Adriano Bof de Oliveira |
| author_sort | Bianca Barreto Martins |
| collection | DOAJ |
| description | In the title compound, C8H5ClN2O2 (common name: 5-chloroisatin 3-oxime), the molecular structure deviates slightly from the ideal planarity, with a maximum deviation of 0.0478 (8) Å for the non-H atoms. In the crystal, molecules are linked by N—H...O interactions, building centrosymmetric dimers with graph-set motif R22(8). Additionally, the molecules are connected by pairs of O—H...O interactions into chains along [100] with a C(6) motif. The hydrogen-bonded dimers and chains build a two-dimensional network parallel to (100). The packing also features π–π stacking interactions between benzene rings [centroid–centroid distance = 3.748 (2) Å]. |
| first_indexed | 2024-04-12T22:03:04Z |
| format | Article |
| id | doaj.art-8fc83f58dca24601b6905a634b345493 |
| institution | Directory Open Access Journal |
| issn | 2414-3146 |
| language | English |
| last_indexed | 2024-04-12T22:03:04Z |
| publishDate | 2016-10-01 |
| publisher | International Union of Crystallography |
| record_format | Article |
| series | IUCrData |
| spelling | doaj.art-8fc83f58dca24601b6905a634b3454932022-12-22T03:15:03ZengInternational Union of CrystallographyIUCrData2414-31462016-10-01110x16150610.1107/S2414314616015066bx4003(3Z)-5-Chloro-3-(hydroxyimino)indolin-2-oneBianca Barreto Martins0Vanessa Carratu Gervini1Fabricio Carvalho Pires2Adailton João Bortoluzzi3Adriano Bof de Oliveira4Escola de Química e Alimentos, Universidade Federal do Rio Grande, Av. Itália km 08, Campus Carreiros, 96203-900 Rio Grande-RS, BrazilEscola de Química e Alimentos, Universidade Federal do Rio Grande, Av. Itália km 08, Campus Carreiros, 96203-900 Rio Grande-RS, BrazilEscola de Química e Alimentos, Universidade Federal do Rio Grande, Av. Itália km 08, Campus Carreiros, 96203-900 Rio Grande-RS, BrazilDepartamento de Química, Universidade Federal de Santa Catarina, Campus Universitário Trindade, 88040-900 Florianópolis-SC, BrazilDepartamento de Química, Universidade Federal de Sergipe, Av. Marechal Rondon s/n, Campus, 49100-000 São Cristóvão-SE, BrazilIn the title compound, C8H5ClN2O2 (common name: 5-chloroisatin 3-oxime), the molecular structure deviates slightly from the ideal planarity, with a maximum deviation of 0.0478 (8) Å for the non-H atoms. In the crystal, molecules are linked by N—H...O interactions, building centrosymmetric dimers with graph-set motif R22(8). Additionally, the molecules are connected by pairs of O—H...O interactions into chains along [100] with a C(6) motif. The hydrogen-bonded dimers and chains build a two-dimensional network parallel to (100). The packing also features π–π stacking interactions between benzene rings [centroid–centroid distance = 3.748 (2) Å].http://scripts.iucr.org/cgi-bin/paper?S2414314616015066crystal structurechloroisatin derivativetwo-dimensional hydrogen-bonded networkoxime derivative |
| spellingShingle | Bianca Barreto Martins Vanessa Carratu Gervini Fabricio Carvalho Pires Adailton João Bortoluzzi Adriano Bof de Oliveira (3Z)-5-Chloro-3-(hydroxyimino)indolin-2-one IUCrData crystal structure chloroisatin derivative two-dimensional hydrogen-bonded network oxime derivative |
| title | (3Z)-5-Chloro-3-(hydroxyimino)indolin-2-one |
| title_full | (3Z)-5-Chloro-3-(hydroxyimino)indolin-2-one |
| title_fullStr | (3Z)-5-Chloro-3-(hydroxyimino)indolin-2-one |
| title_full_unstemmed | (3Z)-5-Chloro-3-(hydroxyimino)indolin-2-one |
| title_short | (3Z)-5-Chloro-3-(hydroxyimino)indolin-2-one |
| title_sort | 3z 5 chloro 3 hydroxyimino indolin 2 one |
| topic | crystal structure chloroisatin derivative two-dimensional hydrogen-bonded network oxime derivative |
| url | http://scripts.iucr.org/cgi-bin/paper?S2414314616015066 |
| work_keys_str_mv | AT biancabarretomartins 3z5chloro3hydroxyiminoindolin2one AT vanessacarratugervini 3z5chloro3hydroxyiminoindolin2one AT fabriciocarvalhopires 3z5chloro3hydroxyiminoindolin2one AT adailtonjoaobortoluzzi 3z5chloro3hydroxyiminoindolin2one AT adrianobofdeoliveira 3z5chloro3hydroxyiminoindolin2one |