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The crystal structure of zwitterionic 2-{[(4-imin-iumyl-3-methyl-1,4-di-hydro-pyridin-1-yl)meth-yl]carbamo-yl}benzoate hemihydrate.
Chidan Kumar CS, Sim AJ, Ng WZ, Chia TS, Loh WS, Kwong HC, Quah CK, Naveen S, Lokanath NK, Warad I. Chidan Kumar CS, et al. Acta Crystallogr E Crystallogr Commun. 2017 Jun 2;73(Pt 7):927-931. doi: 10.1107/S2056989017007836. eCollection 2017 Jul 1. Acta Crystallogr E Crystallogr Commun. 2017. PMID: 28775853 Free PMC article.
Two closely related 2-(benzo-furan-2-yl)-2-oxoethyl benzoates: structural differences and C-H⋯O hydrogen-bonded supra-molecular assemblies.
Then LY, Chidan Kumar CS, Kwong HC, Win YF, Mah SH, Quah CK, Naveen S, Warad I. Then LY, et al. Among authors: chidan kumar cs. Acta Crystallogr E Crystallogr Commun. 2017 Jun 30;73(Pt 7):1087-1091. doi: 10.1107/S2056989017009422. eCollection 2017 Jul 1. Acta Crystallogr E Crystallogr Commun. 2017. PMID: 28775889 Free PMC article.
Steric repulsion and supra-molecular assemblies via a two-dimensional plate by C-H⋯O hydrogen bonds in two closely related 2-(benzo-furan-2-yl)-2-oxoethyl benzoates.
Then LY, Chidan Kumar CS, Kwong HC, Win YF, Mah SH, Quah CK, Naveen S, Warad I. Then LY, et al. Among authors: chidan kumar cs. Acta Crystallogr E Crystallogr Commun. 2017 Jul 21;73(Pt 8):1227-1231. doi: 10.1107/S2056989017010556. eCollection 2017 Jul 1. Acta Crystallogr E Crystallogr Commun. 2017. PMID: 28932442 Free PMC article.
Crystal structure and Hirshfeld surface analysis of a pyridiniminium bromide salt: 1-[2-(adamantan-1-yl)-2-oxoeth-yl]pyridin-4-iminium bromide.
Kwong HC, Mahmud Pathi I, Chidan Kumar CS, Quah CK, Arafath MA. Kwong HC, et al. Among authors: chidan kumar cs. Acta Crystallogr E Crystallogr Commun. 2018 Jun 28;74(Pt 7):1030-1034. doi: 10.1107/S2056989018009131. eCollection 2018 Jul 1. Acta Crystallogr E Crystallogr Commun. 2018. PMID: 30002910 Free PMC article.
Molecular structure, FT-IR, first order hyperpolarizability, NBO analysis, HOMO and LUMO analysis of 2-(4-chlorophenyl)-2-oxoethyl 3-methylbenzoate by HF and density functional methods.
Chidan Kumar CS, Panicker CY, Fun HK, Mary YS, Harikumar B, Chandraju S, Quah CK, Ooi CW. Chidan Kumar CS, et al. Spectrochim Acta A Mol Biomol Spectrosc. 2014 Jul 15;128:327-36. doi: 10.1016/j.saa.2014.02.185. Epub 2014 Mar 12. Spectrochim Acta A Mol Biomol Spectrosc. 2014. PMID: 24691363
76 results