Recognizing New Types of Stacking Interactions by Analyzing Data in the Cambridge Structural Database
Cambridge Structural Database (CSD) is the largest repository of crystal data, containing over 1.2 million crystal structures of organic, metal–organic and organometallic compounds. It is a powerful research tool in many areas, including the extensive studying of noncovalent interactions. In this re...
| Main Authors: | , |
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| Format: | Article |
| Language: | English |
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MDPI AG
2023-11-01
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| Series: | Chemistry |
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| Online Access: | https://www.mdpi.com/2624-8549/5/4/164 |
| _version_ | 1827575292644818944 |
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| author | Dušan P. Malenov Snežana D. Zarić |
| author_facet | Dušan P. Malenov Snežana D. Zarić |
| author_sort | Dušan P. Malenov |
| collection | DOAJ |
| description | Cambridge Structural Database (CSD) is the largest repository of crystal data, containing over 1.2 million crystal structures of organic, metal–organic and organometallic compounds. It is a powerful research tool in many areas, including the extensive studying of noncovalent interactions. In this review, we show how a thorough analysis of CSD crystal data resulted in recognition of novel types of stacking interactions. Even though stacking interactions were traditionally related to aromatic systems, a number of crystallographic studies have shown that nonaromatic metal–chelate rings, as well as hydrogen-bridged rings, can also form stacking interactions. Joined efforts of a CSD analysis and quantum chemical calculations showed that these new stacking interactions are stronger than stacking interactions of aromatic species and recognized them as very important attractive forces in numerous supramolecular systems. |
| first_indexed | 2024-03-08T20:54:04Z |
| format | Article |
| id | doaj.art-c6403a29a56c4fcfa7e2db3f0eb81c23 |
| institution | Directory Open Access Journal |
| issn | 2624-8549 |
| language | English |
| last_indexed | 2024-03-08T20:54:04Z |
| publishDate | 2023-11-01 |
| publisher | MDPI AG |
| record_format | Article |
| series | Chemistry |
| spelling | doaj.art-c6403a29a56c4fcfa7e2db3f0eb81c232023-12-22T14:00:07ZengMDPI AGChemistry2624-85492023-11-01542513254110.3390/chemistry5040164Recognizing New Types of Stacking Interactions by Analyzing Data in the Cambridge Structural DatabaseDušan P. Malenov0Snežana D. Zarić1University of Belgrade—Faculty of Chemistry, Studentski trg 12–16, 11000 Belgrade, SerbiaUniversity of Belgrade—Faculty of Chemistry, Studentski trg 12–16, 11000 Belgrade, SerbiaCambridge Structural Database (CSD) is the largest repository of crystal data, containing over 1.2 million crystal structures of organic, metal–organic and organometallic compounds. It is a powerful research tool in many areas, including the extensive studying of noncovalent interactions. In this review, we show how a thorough analysis of CSD crystal data resulted in recognition of novel types of stacking interactions. Even though stacking interactions were traditionally related to aromatic systems, a number of crystallographic studies have shown that nonaromatic metal–chelate rings, as well as hydrogen-bridged rings, can also form stacking interactions. Joined efforts of a CSD analysis and quantum chemical calculations showed that these new stacking interactions are stronger than stacking interactions of aromatic species and recognized them as very important attractive forces in numerous supramolecular systems.https://www.mdpi.com/2624-8549/5/4/164noncovalent interactionsCambridge Structural Databasecrystal structuresstacking interactionscoordination compoundschelates |
| spellingShingle | Dušan P. Malenov Snežana D. Zarić Recognizing New Types of Stacking Interactions by Analyzing Data in the Cambridge Structural Database Chemistry noncovalent interactions Cambridge Structural Database crystal structures stacking interactions coordination compounds chelates |
| title | Recognizing New Types of Stacking Interactions by Analyzing Data in the Cambridge Structural Database |
| title_full | Recognizing New Types of Stacking Interactions by Analyzing Data in the Cambridge Structural Database |
| title_fullStr | Recognizing New Types of Stacking Interactions by Analyzing Data in the Cambridge Structural Database |
| title_full_unstemmed | Recognizing New Types of Stacking Interactions by Analyzing Data in the Cambridge Structural Database |
| title_short | Recognizing New Types of Stacking Interactions by Analyzing Data in the Cambridge Structural Database |
| title_sort | recognizing new types of stacking interactions by analyzing data in the cambridge structural database |
| topic | noncovalent interactions Cambridge Structural Database crystal structures stacking interactions coordination compounds chelates |
| url | https://www.mdpi.com/2624-8549/5/4/164 |
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