Diethyl [(3-cyano-1-phenylsulfonyl-1H-indol-2-yl)methyl]phosphonate
In the title compound, C20H21N2O5PS, the indole ring is essentially planar, with a maximum deviation of −0.0083 (18) Å. The methyl C atom of the methylphosphonate group and the S atom lie 0.104 (2) and −0.2158&...
| Main Authors: | , , , , |
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| Format: | Article |
| Language: | English |
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International Union of Crystallography
2011-04-01
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| Series: | Acta Crystallographica Section E |
| Online Access: | http://scripts.iucr.org/cgi-bin/paper?S1600536811008038 |
| _version_ | 1818282756564582400 |
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| author | S. Karthikeyan K. Sethusankar Ganesan Gobi Rajeshwaran Arasambattu K. Mohanakrishnan D. Velmurugan |
| author_facet | S. Karthikeyan K. Sethusankar Ganesan Gobi Rajeshwaran Arasambattu K. Mohanakrishnan D. Velmurugan |
| author_sort | S. Karthikeyan |
| collection | DOAJ |
| description | In the title compound, C20H21N2O5PS, the indole ring is essentially planar, with a maximum deviation of −0.0083 (18) Å. The methyl C atom of the methylphosphonate group and the S atom lie 0.104 (2) and −0.2158 (6) Å, respectively, from the indole mean plane. The sulfonyl-bound phenyl ring is almost perpendicular to the indole ring system, with a dihedral angle of 82.30 (8)°. The ethyl side chains are disordered over two sets of sites, with occupancy factors of 0.737 (5)/0.263 (5) and 0.529 (11)/0.471 (11). In the crystal, molecules are linked into centrosymmetric dimers via C—H...O hydrogen bonds, resulting in an R22(18) graph-set motif. The crystal structure is further stabilized by C—H...π interactions. |
| first_indexed | 2024-12-13T00:26:04Z |
| format | Article |
| id | doaj.art-af0b792d8a894e809fb79ddb8fea4595 |
| institution | Directory Open Access Journal |
| issn | 1600-5368 |
| language | English |
| last_indexed | 2024-12-13T00:26:04Z |
| publishDate | 2011-04-01 |
| publisher | International Union of Crystallography |
| record_format | Article |
| series | Acta Crystallographica Section E |
| spelling | doaj.art-af0b792d8a894e809fb79ddb8fea45952022-12-22T00:05:26ZengInternational Union of CrystallographyActa Crystallographica Section E1600-53682011-04-01674o818o81910.1107/S1600536811008038Diethyl [(3-cyano-1-phenylsulfonyl-1H-indol-2-yl)methyl]phosphonateS. KarthikeyanK. SethusankarGanesan Gobi RajeshwaranArasambattu K. MohanakrishnanD. VelmuruganIn the title compound, C20H21N2O5PS, the indole ring is essentially planar, with a maximum deviation of −0.0083 (18) Å. The methyl C atom of the methylphosphonate group and the S atom lie 0.104 (2) and −0.2158 (6) Å, respectively, from the indole mean plane. The sulfonyl-bound phenyl ring is almost perpendicular to the indole ring system, with a dihedral angle of 82.30 (8)°. The ethyl side chains are disordered over two sets of sites, with occupancy factors of 0.737 (5)/0.263 (5) and 0.529 (11)/0.471 (11). In the crystal, molecules are linked into centrosymmetric dimers via C—H...O hydrogen bonds, resulting in an R22(18) graph-set motif. The crystal structure is further stabilized by C—H...π interactions.http://scripts.iucr.org/cgi-bin/paper?S1600536811008038 |
| spellingShingle | S. Karthikeyan K. Sethusankar Ganesan Gobi Rajeshwaran Arasambattu K. Mohanakrishnan D. Velmurugan Diethyl [(3-cyano-1-phenylsulfonyl-1H-indol-2-yl)methyl]phosphonate Acta Crystallographica Section E |
| title | Diethyl [(3-cyano-1-phenylsulfonyl-1H-indol-2-yl)methyl]phosphonate |
| title_full | Diethyl [(3-cyano-1-phenylsulfonyl-1H-indol-2-yl)methyl]phosphonate |
| title_fullStr | Diethyl [(3-cyano-1-phenylsulfonyl-1H-indol-2-yl)methyl]phosphonate |
| title_full_unstemmed | Diethyl [(3-cyano-1-phenylsulfonyl-1H-indol-2-yl)methyl]phosphonate |
| title_short | Diethyl [(3-cyano-1-phenylsulfonyl-1H-indol-2-yl)methyl]phosphonate |
| title_sort | diethyl 3 cyano 1 phenylsulfonyl 1h indol 2 yl methyl phosphonate |
| url | http://scripts.iucr.org/cgi-bin/paper?S1600536811008038 |
| work_keys_str_mv | AT skarthikeyan diethyl3cyano1phenylsulfonyl1hindol2ylmethylphosphonate AT ksethusankar diethyl3cyano1phenylsulfonyl1hindol2ylmethylphosphonate AT ganesangobirajeshwaran diethyl3cyano1phenylsulfonyl1hindol2ylmethylphosphonate AT arasambattukmohanakrishnan diethyl3cyano1phenylsulfonyl1hindol2ylmethylphosphonate AT dvelmurugan diethyl3cyano1phenylsulfonyl1hindol2ylmethylphosphonate |