1-(2-Chlorophenyl)-3-(2-ethylhexanoyl)thiourea
In the title compound, C15H21ClN2OS, the central chromophore moiety (C2N2OS) is approximately planar, with a maximum deviation of −0.027 (1) Å, and is oriented at a dihedral angle of 86.7 (1)° with respect to the chlorophenyl ring. An intramo...
| Main Authors: | , , , , |
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| Format: | Article |
| Language: | English |
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International Union of Crystallography
2013-08-01
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| Series: | Acta Crystallographica Section E |
| Online Access: | http://scripts.iucr.org/cgi-bin/paper?S160053681301828X |
| _version_ | 1819107151823503360 |
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| author | N. Radha Bohari M. Yamin K. Ramamurthi S. Selvanayagam R. Santhakumari |
| author_facet | N. Radha Bohari M. Yamin K. Ramamurthi S. Selvanayagam R. Santhakumari |
| author_sort | N. Radha |
| collection | DOAJ |
| description | In the title compound, C15H21ClN2OS, the central chromophore moiety (C2N2OS) is approximately planar, with a maximum deviation of −0.027 (1) Å, and is oriented at a dihedral angle of 86.7 (1)° with respect to the chlorophenyl ring. An intramolecular N—H...O hydrogen bond stabilizes the molecular conformation. In the crystal, molecules associate via N—H...S hydrogen bonds, forming inversion dimers with motif R22(8). These dimers are further connected by N—H...O hydrogen bonds, forming R22(12) dimers. As a result, hydrogen-bonded chains running along [110] are formed. C—H...S interactions also occur. The terminal two C atoms of the butyl chain are disordered over two positions with an occupancy ratio of 0.54:0.46. |
| first_indexed | 2024-12-22T02:49:29Z |
| format | Article |
| id | doaj.art-40ef962f8c784411a01deba6fc5cebd4 |
| institution | Directory Open Access Journal |
| issn | 1600-5368 |
| language | English |
| last_indexed | 2024-12-22T02:49:29Z |
| publishDate | 2013-08-01 |
| publisher | International Union of Crystallography |
| record_format | Article |
| series | Acta Crystallographica Section E |
| spelling | doaj.art-40ef962f8c784411a01deba6fc5cebd42022-12-21T18:41:25ZengInternational Union of CrystallographyActa Crystallographica Section E1600-53682013-08-01698o1220o122010.1107/S160053681301828X1-(2-Chlorophenyl)-3-(2-ethylhexanoyl)thioureaN. RadhaBohari M. YaminK. RamamurthiS. SelvanayagamR. SanthakumariIn the title compound, C15H21ClN2OS, the central chromophore moiety (C2N2OS) is approximately planar, with a maximum deviation of −0.027 (1) Å, and is oriented at a dihedral angle of 86.7 (1)° with respect to the chlorophenyl ring. An intramolecular N—H...O hydrogen bond stabilizes the molecular conformation. In the crystal, molecules associate via N—H...S hydrogen bonds, forming inversion dimers with motif R22(8). These dimers are further connected by N—H...O hydrogen bonds, forming R22(12) dimers. As a result, hydrogen-bonded chains running along [110] are formed. C—H...S interactions also occur. The terminal two C atoms of the butyl chain are disordered over two positions with an occupancy ratio of 0.54:0.46.http://scripts.iucr.org/cgi-bin/paper?S160053681301828X |
| spellingShingle | N. Radha Bohari M. Yamin K. Ramamurthi S. Selvanayagam R. Santhakumari 1-(2-Chlorophenyl)-3-(2-ethylhexanoyl)thiourea Acta Crystallographica Section E |
| title | 1-(2-Chlorophenyl)-3-(2-ethylhexanoyl)thiourea |
| title_full | 1-(2-Chlorophenyl)-3-(2-ethylhexanoyl)thiourea |
| title_fullStr | 1-(2-Chlorophenyl)-3-(2-ethylhexanoyl)thiourea |
| title_full_unstemmed | 1-(2-Chlorophenyl)-3-(2-ethylhexanoyl)thiourea |
| title_short | 1-(2-Chlorophenyl)-3-(2-ethylhexanoyl)thiourea |
| title_sort | 1 2 chlorophenyl 3 2 ethylhexanoyl thiourea |
| url | http://scripts.iucr.org/cgi-bin/paper?S160053681301828X |
| work_keys_str_mv | AT nradha 12chlorophenyl32ethylhexanoylthiourea AT boharimyamin 12chlorophenyl32ethylhexanoylthiourea AT kramamurthi 12chlorophenyl32ethylhexanoylthiourea AT sselvanayagam 12chlorophenyl32ethylhexanoylthiourea AT rsanthakumari 12chlorophenyl32ethylhexanoylthiourea |