3-Methyl-5,6-diphenyl-1H-pyrazolo[1,2-a]cinnolin-1-one
The asymmetric unit of the title compound, C24H18N2O, comprises two crystallographically independent molecules (A and B), with slightly different conformations. In each molecule, there is an intramolecular C—H...O hydrogen bond forming an S(6) ring motif. The pyridazine rings of the pyrazolo[1,2-a]c...
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| Format: | Article |
| Language: | English |
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International Union of Crystallography
2017-04-01
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| Series: | IUCrData |
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| Online Access: | http://scripts.iucr.org/cgi-bin/paper?S241431461700534X |
| _version_ | 1811276287755419648 |
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| author | Sivakalai Mayakrishnan Y. Arun Narayanan Uma Maheswari |
| author_facet | Sivakalai Mayakrishnan Y. Arun Narayanan Uma Maheswari |
| author_sort | Sivakalai Mayakrishnan |
| collection | DOAJ |
| description | The asymmetric unit of the title compound, C24H18N2O, comprises two crystallographically independent molecules (A and B), with slightly different conformations. In each molecule, there is an intramolecular C—H...O hydrogen bond forming an S(6) ring motif. The pyridazine rings of the pyrazolo[1,2-a]cinnoline units have screw-boat conformations. Their mean planes are inclined to the phenyl rings by 83.81 (8) and 74.19 (8)° in molecule A, and 89.72 (8) and 71.07 (8)° in molecule B. In the crystal, the A and B molecules are linked by a pair of C—H...O hydrogen bonds, forming an A–B dimer with an R22(14) ring motif. These dimers are linked by further C—H...O hydrogen bonds, forming ribbons propagating along the b-axis direction. The ribbons are linked by a number of C—H...π interactions, forming a three-dimensional structure. |
| first_indexed | 2024-04-12T23:54:53Z |
| format | Article |
| id | doaj.art-868959f4f60e451f9ae3ff06ec7ed407 |
| institution | Directory Open Access Journal |
| issn | 2414-3146 |
| language | English |
| last_indexed | 2024-04-12T23:54:53Z |
| publishDate | 2017-04-01 |
| publisher | International Union of Crystallography |
| record_format | Article |
| series | IUCrData |
| spelling | doaj.art-868959f4f60e451f9ae3ff06ec7ed4072022-12-22T03:11:34ZengInternational Union of CrystallographyIUCrData2414-31462017-04-0124x17053410.1107/S241431461700534Xsu41463-Methyl-5,6-diphenyl-1H-pyrazolo[1,2-a]cinnolin-1-oneSivakalai Mayakrishnan0Y. Arun1Narayanan Uma Maheswari2Organic & Bio-organic Chemistry, CSIR Central Leather Research Institute, Adyar, Chennai 600 020, IndiaOrganic & Bio-organic Chemistry, CSIR Central Leather Research Institute, Adyar, Chennai 600 020, IndiaOrganic & Bio-organic Chemistry, CSIR Central Leather Research Institute, Adyar, Chennai 600 020, IndiaThe asymmetric unit of the title compound, C24H18N2O, comprises two crystallographically independent molecules (A and B), with slightly different conformations. In each molecule, there is an intramolecular C—H...O hydrogen bond forming an S(6) ring motif. The pyridazine rings of the pyrazolo[1,2-a]cinnoline units have screw-boat conformations. Their mean planes are inclined to the phenyl rings by 83.81 (8) and 74.19 (8)° in molecule A, and 89.72 (8) and 71.07 (8)° in molecule B. In the crystal, the A and B molecules are linked by a pair of C—H...O hydrogen bonds, forming an A–B dimer with an R22(14) ring motif. These dimers are linked by further C—H...O hydrogen bonds, forming ribbons propagating along the b-axis direction. The ribbons are linked by a number of C—H...π interactions, forming a three-dimensional structure.http://scripts.iucr.org/cgi-bin/paper?S241431461700534Xcrystal structurecinnolinepyrazolepyridazinehydrogen bondingC—H...π interactions |
| spellingShingle | Sivakalai Mayakrishnan Y. Arun Narayanan Uma Maheswari 3-Methyl-5,6-diphenyl-1H-pyrazolo[1,2-a]cinnolin-1-one IUCrData crystal structure cinnoline pyrazole pyridazine hydrogen bonding C—H...π interactions |
| title | 3-Methyl-5,6-diphenyl-1H-pyrazolo[1,2-a]cinnolin-1-one |
| title_full | 3-Methyl-5,6-diphenyl-1H-pyrazolo[1,2-a]cinnolin-1-one |
| title_fullStr | 3-Methyl-5,6-diphenyl-1H-pyrazolo[1,2-a]cinnolin-1-one |
| title_full_unstemmed | 3-Methyl-5,6-diphenyl-1H-pyrazolo[1,2-a]cinnolin-1-one |
| title_short | 3-Methyl-5,6-diphenyl-1H-pyrazolo[1,2-a]cinnolin-1-one |
| title_sort | 3 methyl 5 6 diphenyl 1h pyrazolo 1 2 a cinnolin 1 one |
| topic | crystal structure cinnoline pyrazole pyridazine hydrogen bonding C—H...π interactions |
| url | http://scripts.iucr.org/cgi-bin/paper?S241431461700534X |
| work_keys_str_mv | AT sivakalaimayakrishnan 3methyl56diphenyl1hpyrazolo12acinnolin1one AT yarun 3methyl56diphenyl1hpyrazolo12acinnolin1one AT narayananumamaheswari 3methyl56diphenyl1hpyrazolo12acinnolin1one |