| 000 -LEADER |
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| fixed length control field |
a |
| 003 - CONTROL NUMBER IDENTIFIER |
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| control field |
OSt |
| 005 - DATE AND TIME OF LATEST TRANSACTION |
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| control field |
20220129113450.0 |
| 008 - FIXED-LENGTH DATA ELEMENTS--GENERAL INFORMATION |
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| fixed length control field |
220129b xxu||||| |||| 00| 0 eng d |
| 040 ## - CATALOGING SOURCE |
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| Original cataloging agency |
AIKTC-KRRC |
| Transcribing agency |
AIKTC-KRRC |
| 100 ## - MAIN ENTRY--PERSONAL NAME |
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| 9 (RLIN) |
15658 |
| Author |
Manickam, R. |
| 245 ## - TITLE STATEMENT |
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| Title |
Synthesis, crystal structure, density functional theory, Hirshfeld surface analysis and molecular docking studies of 2-(2-phenylanthracen-9-yl)thiophene derivatives |
| 250 ## - EDITION STATEMENT |
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| Volume, Issue number |
Vol.60B(3), March |
| 260 ## - PUBLICATION, DISTRIBUTION, ETC. |
|---|
| Place of publication, distribution, etc. |
New Delhi |
| Name of publisher, distributor, etc. |
CSIR |
| Year |
2021 |
| 300 ## - PHYSICAL DESCRIPTION |
|---|
| Pagination |
439-445p. |
| 520 ## - SUMMARY, ETC. |
|---|
| Summary, etc. |
Thiophene containing molecules have been distinguished as potential candidates in the largely emergent chemical world of heterocyclic compounds that show likely pharmacological characteristics. The knowledge of a mixture of synthetic pathways and the different physicochemical parameters of such compounds describe the especial interest of medicinal chemists to produce combinatorial collections and carry out in-depth efforts in the search of lead molecules. Among the various group of compounds studied, thiophene moieties stand out as unique in features due to their biological, pharmacological and medicinal properties. Synthesis, crystal structure, conformation and density functional theory of 2-(2-phenylanthracen-9-yl)thiophene derivative have been investigated in detail. Thiophene moiety are in planar conformation and having C-H…O type of hydrogen bonds and Van der Waals forces. Density functional theory has been applied to the thiophene derivative. Thiophene compounds score highly against the targeted protein and can be compared to the co-crystal ligand. Hirshfeld surface studies have been used to confirm and quantify the supramolecular features. |
| 650 #0 - SUBJECT ADDED ENTRY--TOPICAL TERM |
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| 9 (RLIN) |
5009 |
| Topical term or geographic name entry element |
GENERAL CHEMISTRY |
| 700 ## - ADDED ENTRY--PERSONAL NAME |
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| 9 (RLIN) |
15659 |
| Co-Author |
Jagadeesan, G. |
| 773 0# - HOST ITEM ENTRY |
|---|
| Title |
Indian journal of chemistry (Section B) |
| Place, publisher, and date of publication |
New Delhi NISCAIR-CSIR 2005 |
| 856 ## - ELECTRONIC LOCATION AND ACCESS |
|---|
| URL |
http://nopr.niscair.res.in/bitstream/123456789/56388/1/IJCB%2060B%283%29%20439-445.pdf |
| Link text |
Click here |
| 942 ## - ADDED ENTRY ELEMENTS (KOHA) |
|---|
| Source of classification or shelving scheme |
|
| Koha item type |
Articles Abstract Database |
