Synthesis, single crystal X-ray structure determination, Hirshfeld surface analysis, crystal voids studies, and density functional theory calculations of N-carbamothioylbenzamide and 1,3,5-triazinane-2,4,6-trithione co-crystal

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Title

Synthesis, single crystal X-ray structure determination, Hirshfeld surface analysis, crystal voids studies, and density functional theory calculations of N-carbamothioylbenzamide and 1,3,5-triazinane-2,4,6-trithione co-crystal

Content partner

University of Otago

Collection

Otago University Research Archive

Description

The current research presents simple synthesis, single crystal X-ray structure determination, Hirshfeld surface (HS) analysis, crystal voids studies, and density function theory (DFT) calculations of N-carbamothioylbenzamide and 1,3,5-triazinane-2,4,6-trithione co-crystal. Consequently, single crystal X-ray analysis revealed that the synthesized compounds are co-crystallized in a monoclinic crystal system with space group of P2(1)/c and Z = 4. HS analysis visualized, explored, and subsequentl...

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Format

Research paper

Research format

Scholarly text / Journal article

Thesis level

Article

Date created

2024-02-01

Creator

Aziz, Hamid / Saeed, Aamer / Simpson, Jim / Shabir, Ghulam / Hokelek, Tuncer / Khan, Ismat Ullah / Jabeen, Erum / Simpson, James

URL

https://hdl.handle.net/10523/18139

Related subjects

Chemistry / Chemistry, Multidisciplinary / Chemistry, Physical / Crystallography / Physical Sciences / Science & Technology

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