1-[(2-Bromophenyl)diphenylmethyl]-3-(trifluoromethyl)-1H-pyrazole–1-(triphenylmethyl)-3-(trifluoromethyl)-1H-pyrazole (0.638:0.362)
In the title compound, 0.638C23H16BrF3N2·0.362C23H17F3N2, the Br atom has been partially replaced by an H atom by reaction with NaH. In the crystal, pairwise C—H...Br hydrogen bonds link the molecules into centrosymmetric dimers, enclosing R22(16) ring motifs. A Hirshfeld surface analysis indicates...
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| Format: | Article |
| Language: | English |
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International Union of Crystallography
2025-06-01
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| Online Access: | https://journals.iucr.org/paper?S2414314625004663 |
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| author | Firudin I. Guseinov Aida I. Samigullina Tuncer Hökelek Sahil Z. Hamidov Jamal Lasri Khudayar I. Hasanov Tahir A. Javadzade Alebel N. Belay |
| author_facet | Firudin I. Guseinov Aida I. Samigullina Tuncer Hökelek Sahil Z. Hamidov Jamal Lasri Khudayar I. Hasanov Tahir A. Javadzade Alebel N. Belay |
| author_sort | Firudin I. Guseinov |
| collection | DOAJ |
| description | In the title compound, 0.638C23H16BrF3N2·0.362C23H17F3N2, the Br atom has been partially replaced by an H atom by reaction with NaH. In the crystal, pairwise C—H...Br hydrogen bonds link the molecules into centrosymmetric dimers, enclosing R22(16) ring motifs. A Hirshfeld surface analysis indicates that the most important contributions for the crystal packing are from H...H (40.1%), H...F/F...H (21.4%) and H...C/C...H (18.9%) interactions. |
| format | Article |
| id | doaj-art-f8e747c300f7404ea73339df2544325e |
| institution | Matheson Library |
| issn | 2414-3146 |
| language | English |
| publishDate | 2025-06-01 |
| publisher | International Union of Crystallography |
| record_format | Article |
| series | IUCrData |
| spelling | doaj-art-f8e747c300f7404ea73339df2544325e2025-07-07T07:52:57ZengInternational Union of CrystallographyIUCrData2414-31462025-06-01106x25046610.1107/S2414314625004663hb45191-[(2-Bromophenyl)diphenylmethyl]-3-(trifluoromethyl)-1H-pyrazole–1-(triphenylmethyl)-3-(trifluoromethyl)-1H-pyrazole (0.638:0.362)Firudin I. Guseinov0Aida I. Samigullina1Tuncer Hökelek2Sahil Z. Hamidov3Jamal Lasri4Khudayar I. Hasanov5Tahir A. Javadzade6Alebel N. Belay7Kosygin State University of Russia, 117997 Moscow, Russian FederationN. D. Zelinsky Institute of Organic Chemistry, Russian academy of Sciences, 119991 Moscow, Russian FederationHacettepe University, Department of Physics, 06800 Beytepe-Ankara, TürkiyeAzerbaijan Technological University, Shah Ismayil Khatai Avenue 103, AZ2011 Ganja, AzerbaijanDepartment of Chemistry, Rabigh College of Science and Arts, King Abdulaziz University, Jeddah 21589, Saudi ArabiaWestern Caspian University, Istiqlaliyyat Street 31, AZ 1001, Baku, AzerbaijanDepartment of Chemistry and Chemical Engineering, Khazar University, Mahsati St. 41, AZ1096 Baku, AzerbaijanDepartment of Chemistry, Bahir Dar University, PO Box 79, Bahir Dar, EthiopiaIn the title compound, 0.638C23H16BrF3N2·0.362C23H17F3N2, the Br atom has been partially replaced by an H atom by reaction with NaH. In the crystal, pairwise C—H...Br hydrogen bonds link the molecules into centrosymmetric dimers, enclosing R22(16) ring motifs. A Hirshfeld surface analysis indicates that the most important contributions for the crystal packing are from H...H (40.1%), H...F/F...H (21.4%) and H...C/C...H (18.9%) interactions.https://journals.iucr.org/paper?S2414314625004663crystal structurehydrogen bondpyrazole |
| spellingShingle | Firudin I. Guseinov Aida I. Samigullina Tuncer Hökelek Sahil Z. Hamidov Jamal Lasri Khudayar I. Hasanov Tahir A. Javadzade Alebel N. Belay 1-[(2-Bromophenyl)diphenylmethyl]-3-(trifluoromethyl)-1H-pyrazole–1-(triphenylmethyl)-3-(trifluoromethyl)-1H-pyrazole (0.638:0.362) IUCrData crystal structure hydrogen bond pyrazole |
| title | 1-[(2-Bromophenyl)diphenylmethyl]-3-(trifluoromethyl)-1H-pyrazole–1-(triphenylmethyl)-3-(trifluoromethyl)-1H-pyrazole (0.638:0.362) |
| title_full | 1-[(2-Bromophenyl)diphenylmethyl]-3-(trifluoromethyl)-1H-pyrazole–1-(triphenylmethyl)-3-(trifluoromethyl)-1H-pyrazole (0.638:0.362) |
| title_fullStr | 1-[(2-Bromophenyl)diphenylmethyl]-3-(trifluoromethyl)-1H-pyrazole–1-(triphenylmethyl)-3-(trifluoromethyl)-1H-pyrazole (0.638:0.362) |
| title_full_unstemmed | 1-[(2-Bromophenyl)diphenylmethyl]-3-(trifluoromethyl)-1H-pyrazole–1-(triphenylmethyl)-3-(trifluoromethyl)-1H-pyrazole (0.638:0.362) |
| title_short | 1-[(2-Bromophenyl)diphenylmethyl]-3-(trifluoromethyl)-1H-pyrazole–1-(triphenylmethyl)-3-(trifluoromethyl)-1H-pyrazole (0.638:0.362) |
| title_sort | 1 2 bromophenyl diphenylmethyl 3 trifluoromethyl 1h pyrazole 1 triphenylmethyl 3 trifluoromethyl 1h pyrazole 0 638 0 362 |
| topic | crystal structure hydrogen bond pyrazole |
| url | https://journals.iucr.org/paper?S2414314625004663 |
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