Benzoic acid-2,9-dimethylphenanthroline (1/1)
The constituents of the title 1:1 co-crystal, C(7)H(6)O(2)center dot C(14)H(12)N(2), are connected into dimeric aggregates by a bifurcated O-H...N hydrogen bond; the hydroxyl-H atom is hydrogen bonded to the two N atoms of the 2,9-dimethylphenanthroline. The hydrogen-bonded residues are almost ortho...
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| Format: | Article |
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International Union of Crystallography
2010
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| _version_ | 1825720203595481088 |
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| author | Arman, H.D. Kaulgud, T. Tiekink, E.R.T. |
| author_facet | Arman, H.D. Kaulgud, T. Tiekink, E.R.T. |
| author_sort | Arman, H.D. |
| collection | UM |
| description | The constituents of the title 1:1 co-crystal, C(7)H(6)O(2)center dot C(14)H(12)N(2), are connected into dimeric aggregates by a bifurcated O-H...N hydrogen bond; the hydroxyl-H atom is hydrogen bonded to the two N atoms of the 2,9-dimethylphenanthroline. The hydrogen-bonded residues are almost orthogonal to each other [dihedral angle = 78.56 (7) degrees]. In the crystal packing, the aggregates are assembled into layers in the bc plane by pi...pi interactions [ring centroid...ring centroid distance = 3.5577 (16) A] involving the pyridyl rings, and C-H...pi contacts involving the phenanthroline-H atom and the phenyl ring of the acid. |
| first_indexed | 2024-03-06T05:31:28Z |
| format | Article |
| id | um.eprints-12567 |
| institution | Universiti Malaya |
| last_indexed | 2024-03-06T05:31:28Z |
| publishDate | 2010 |
| publisher | International Union of Crystallography |
| record_format | dspace |
| spelling | um.eprints-125672019-01-31T01:08:34Z http://eprints.um.edu.my/12567/ Benzoic acid-2,9-dimethylphenanthroline (1/1) Arman, H.D. Kaulgud, T. Tiekink, E.R.T. QD Chemistry The constituents of the title 1:1 co-crystal, C(7)H(6)O(2)center dot C(14)H(12)N(2), are connected into dimeric aggregates by a bifurcated O-H...N hydrogen bond; the hydroxyl-H atom is hydrogen bonded to the two N atoms of the 2,9-dimethylphenanthroline. The hydrogen-bonded residues are almost orthogonal to each other [dihedral angle = 78.56 (7) degrees]. In the crystal packing, the aggregates are assembled into layers in the bc plane by pi...pi interactions [ring centroid...ring centroid distance = 3.5577 (16) A] involving the pyridyl rings, and C-H...pi contacts involving the phenanthroline-H atom and the phenyl ring of the acid. International Union of Crystallography 2010 Article PeerReviewed Arman, H.D. and Kaulgud, T. and Tiekink, E.R.T. (2010) Benzoic acid-2,9-dimethylphenanthroline (1/1). Acta Crystallographica Section E: Structure Reports Online, 66 (8). O2117-U2056. ISSN 1600-5368, |
| spellingShingle | QD Chemistry Arman, H.D. Kaulgud, T. Tiekink, E.R.T. Benzoic acid-2,9-dimethylphenanthroline (1/1) |
| title | Benzoic acid-2,9-dimethylphenanthroline (1/1) |
| title_full | Benzoic acid-2,9-dimethylphenanthroline (1/1) |
| title_fullStr | Benzoic acid-2,9-dimethylphenanthroline (1/1) |
| title_full_unstemmed | Benzoic acid-2,9-dimethylphenanthroline (1/1) |
| title_short | Benzoic acid-2,9-dimethylphenanthroline (1/1) |
| title_sort | benzoic acid 2 9 dimethylphenanthroline 1 1 |
| topic | QD Chemistry |
| work_keys_str_mv | AT armanhd benzoicacid29dimethylphenanthroline11 AT kaulgudt benzoicacid29dimethylphenanthroline11 AT tiekinkert benzoicacid29dimethylphenanthroline11 |