GET THE APP

Crystal Structure and Hirshfeld Surface Investigation of 3,4-bis(prop-2-yn-1-yloxy)benzaldehyde | Abstract

Der Pharma Chemica
Journal for Medicinal Chemistry, Pharmaceutical Chemistry, Pharmaceutical Sciences and Computational Chemistry

ISSN: 0975-413X
All submissions of the EM system will be redirected to Online Manuscript Submission System. Authors are requested to submit articles directly to Online Manuscript Submission Systemof respective journal.

Abstract

Crystal Structure and Hirshfeld Surface Investigation of 3,4-bis(prop-2-yn-1-yloxy)benzaldehyde

Author(s): Priyanka Singh, Rama Kant, Silas Dayl Sharma

In present study, the compound 3,4-bis(prop-2-yn-1-yloxy)benzaldehyde was synthesized by propargylation of 3,4-dihydroxybenzaldehyde and characterized by 1H-NMR, 13C-NMR, elemental and X-ray analysis. The compound crystallizes in the P-1 space group of the monoclinic crystal system with unit cell parameters of a =4.5901(6) Å, b=17.835(2) Å, c=13.346(2) Å, β=91.612(13)°, V=1092.1(4) Å3, Dx=1.303 Mg m-3 and Z=4. The molecules are arranged in zig-zag manner and crystal packing is stabilized by C13A(sp)—H13A….O1B, C13B(sp)—H13B….O1A and C12B(sp)—H12B….O1B intermolecular interactions. These interactions generate various hydrogen bond patterns e.g. C(11), R2 2(20) and R4 6(47). The Hirshfeld surfaces and the associated 2-D fingerprint plots analysis were performed for visualizing, exploring and quantifying intermolecular interactions in the crystal lattice of the compound.


Full-Text PDF

Select your language of interest to view the total content in your interested language

30+ Million Readerbase
SCImago Journal & Country Rank
Google Scholar citation report
Citations : 23677

Der Pharma Chemica received 23677 citations as per Google Scholar report

Der Pharma Chemica peer review process verified at publons
Der Pharma Chemica- Journals on pharmaceutical chemistry