GET THE APP

Crystal Structure and Hirshfeld Surface Analysis of 4-Nitrophenyl Isocyanate | 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 Analysis of 4-Nitrophenyl Isocyanate

Author(s): Hema MK, Karthik CS, Karthik Kumara, Mallesha L, Mallu P, Lokanath NK

The compound, 4-nitrophenyl isocyanate (C7H4N2O3) was crystallized from dichloromethane and the single crystal was studied by X-ray diffraction studies. The title compound is crystallized in the monoclinic crystal system with the space group P21/n. The unit cell parameters are a=3.7123(11) Å, b=13.120(3) Å, c=15.041(4) Å, β=93.648(15)° and V=731.1(3)Å3. The structure exhibits inter-molecular hydrogen bonds of the type C—H...O, which accounts for the stability of the molecule. The intermolecular interactions in the crystal structure were quantified and analyzed using Hirshfeld surface analysis.


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 : 25868

Der Pharma Chemica received 25868 citations as per Google Scholar report

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