Crystal structure and Hirshfeld surface analysis of 3-({4-[(4-cyanophenoxy)carbonyl]phenoxy}carbonyl)phenyl 4-(benzyloxy)-3-chlorobenzoate
The title compound, C35H22ClNO7, is a non-liquid crystal with a bent-shaped molecule. The dihedral angles between adjacent aromatic rings in the molecule (starting from the cyanobenzene ring) are 72.61 (2), 87.69 (4), 64.08 (2) and 88.23 (2)°, indicating that adjacent rings are close to perpendicula...
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| Format: | Article |
| Language: | English |
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International Union of Crystallography
2022-10-01
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| Series: | Acta Crystallographica Section E: Crystallographic Communications |
| Subjects: | |
| Online Access: | http://scripts.iucr.org/cgi-bin/paper?S2056989022008441 |
| _version_ | 1828107116821348352 |
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| author | S. Selvanandan H. Anil kumar H. T. Srinivasa B. S. Palakshamurthy |
| author_facet | S. Selvanandan H. Anil kumar H. T. Srinivasa B. S. Palakshamurthy |
| author_sort | S. Selvanandan |
| collection | DOAJ |
| description | The title compound, C35H22ClNO7, is a non-liquid crystal with a bent-shaped molecule. The dihedral angles between adjacent aromatic rings in the molecule (starting from the cyanobenzene ring) are 72.61 (2), 87.69 (4), 64.08 (2) and 88.23 (2)°, indicating that adjacent rings are close to perpendicular to each other. In the crystal, the molecules are linked by weak C—H...N and C—H...π interactions, thereby forming a two-dimensional supramolecular architecture in the ac plane. The most important contributions to the crystal packing arise from H...H (59.3%), S...H (27.4%) and O...H (7.5%) interactions, as determined by a Hirshfeld surface analysis. |
| first_indexed | 2024-04-11T10:27:33Z |
| format | Article |
| id | doaj.art-e1d72c76cb34456f93e627ff0cde3e3b |
| institution | Directory Open Access Journal |
| issn | 2056-9890 |
| language | English |
| last_indexed | 2024-04-11T10:27:33Z |
| publishDate | 2022-10-01 |
| publisher | International Union of Crystallography |
| record_format | Article |
| series | Acta Crystallographica Section E: Crystallographic Communications |
| spelling | doaj.art-e1d72c76cb34456f93e627ff0cde3e3b2022-12-22T04:29:33ZengInternational Union of CrystallographyActa Crystallographica Section E: Crystallographic Communications2056-98902022-10-01781098999210.1107/S2056989022008441hb8019Crystal structure and Hirshfeld surface analysis of 3-({4-[(4-cyanophenoxy)carbonyl]phenoxy}carbonyl)phenyl 4-(benzyloxy)-3-chlorobenzoateS. Selvanandan0H. Anil kumar1H. T. Srinivasa2B. S. Palakshamurthy3Department of Physics, ACS College of Engineering, Bangalore, Karnataka-560074, IndiaDepartment of Physics, Government First Grade College, Magadi, Karnataka-562120, IndiaRaman Research Institute, C. V. Raman Avenue, Sadashivanagar, Bangalore, Karnataka, IndiaDepartment of PG Studies and Research in Physics, Albert Einstein Block, UCS, Tumkur University, Tumkur, Karnataka-572103, IndiaThe title compound, C35H22ClNO7, is a non-liquid crystal with a bent-shaped molecule. The dihedral angles between adjacent aromatic rings in the molecule (starting from the cyanobenzene ring) are 72.61 (2), 87.69 (4), 64.08 (2) and 88.23 (2)°, indicating that adjacent rings are close to perpendicular to each other. In the crystal, the molecules are linked by weak C—H...N and C—H...π interactions, thereby forming a two-dimensional supramolecular architecture in the ac plane. The most important contributions to the crystal packing arise from H...H (59.3%), S...H (27.4%) and O...H (7.5%) interactions, as determined by a Hirshfeld surface analysis.http://scripts.iucr.org/cgi-bin/paper?S2056989022008441crystal structurehirshfeld surfaceenergy framework |
| spellingShingle | S. Selvanandan H. Anil kumar H. T. Srinivasa B. S. Palakshamurthy Crystal structure and Hirshfeld surface analysis of 3-({4-[(4-cyanophenoxy)carbonyl]phenoxy}carbonyl)phenyl 4-(benzyloxy)-3-chlorobenzoate Acta Crystallographica Section E: Crystallographic Communications crystal structure hirshfeld surface energy framework |
| title | Crystal structure and Hirshfeld surface analysis of 3-({4-[(4-cyanophenoxy)carbonyl]phenoxy}carbonyl)phenyl 4-(benzyloxy)-3-chlorobenzoate |
| title_full | Crystal structure and Hirshfeld surface analysis of 3-({4-[(4-cyanophenoxy)carbonyl]phenoxy}carbonyl)phenyl 4-(benzyloxy)-3-chlorobenzoate |
| title_fullStr | Crystal structure and Hirshfeld surface analysis of 3-({4-[(4-cyanophenoxy)carbonyl]phenoxy}carbonyl)phenyl 4-(benzyloxy)-3-chlorobenzoate |
| title_full_unstemmed | Crystal structure and Hirshfeld surface analysis of 3-({4-[(4-cyanophenoxy)carbonyl]phenoxy}carbonyl)phenyl 4-(benzyloxy)-3-chlorobenzoate |
| title_short | Crystal structure and Hirshfeld surface analysis of 3-({4-[(4-cyanophenoxy)carbonyl]phenoxy}carbonyl)phenyl 4-(benzyloxy)-3-chlorobenzoate |
| title_sort | crystal structure and hirshfeld surface analysis of 3 4 4 cyanophenoxy carbonyl phenoxy carbonyl phenyl 4 benzyloxy 3 chlorobenzoate |
| topic | crystal structure hirshfeld surface energy framework |
| url | http://scripts.iucr.org/cgi-bin/paper?S2056989022008441 |
| work_keys_str_mv | AT sselvanandan crystalstructureandhirshfeldsurfaceanalysisof344cyanophenoxycarbonylphenoxycarbonylphenyl4benzyloxy3chlorobenzoate AT hanilkumar crystalstructureandhirshfeldsurfaceanalysisof344cyanophenoxycarbonylphenoxycarbonylphenyl4benzyloxy3chlorobenzoate AT htsrinivasa crystalstructureandhirshfeldsurfaceanalysisof344cyanophenoxycarbonylphenoxycarbonylphenyl4benzyloxy3chlorobenzoate AT bspalakshamurthy crystalstructureandhirshfeldsurfaceanalysisof344cyanophenoxycarbonylphenoxycarbonylphenyl4benzyloxy3chlorobenzoate |