Computed Properties of C7H5NO3. Authors Colak, N; Karayel, A; Buldurun, K; Turan, N in PLEIADES PUBLISHING INC published article about in [colak, N.] Hitit Univ, Fac Arts & Sci, Dept Chem, Corum, Turkey; [Karayel, A.] Hitit Univ, Fac Arts & Sci, Dept Phys, Corum, Turkey; [Buldurun, K.] Mus Alparslan Univ, Tech Sci Vocat Sch, Dept Food Proc, Mus, Turkey; [Turan, N.] Mus Alparslan Univ, Fac Arts & Sci, Dept Chem, Mus, Turkey in 2021.0, Cited 35.0. The Name is 3-Nitrobenzaldehyde. Through research, I have a further understanding and discovery of 99-61-6
In this work, 6-tert-butyl 3-ethyl 2-amino-4,5-dihydrothieno[2,3-c]pyridine-3,6(7H)-dicarboxylate is synthesized from starting tert-butyl 4-oxopiperidine-1-carboxylate, ethyl cyanomalonate, and sulfur, and then, coupled with same aromatic aldehyde affords the corresponding Schiff base compounds. These compounds (2a-d) are characterized using FTIR, H-1 and C-13 NMR spectroscopic methods. The crystal and molecular structure of (E)-6-tert-butyl 3-ethyl 2-((2-hydroxy-3-methoxybenzylidene)amino)-4,5-dihydrothieno[2,3-c]pyridine-3,6(7H)-dicarboxylate (2a) is characterized by the X-ray crystallographic analysis. Compound 2a crystallizes in the monoclinic space group P2(1)/c. The molecular and crystal structure is stabilized by two O-HMIDLINE HORIZONTAL ELLIPSISN and O-HMIDLINE HORIZONTAL ELLIPSISO intramolecular hydrogen bonds (OMIDLINE HORIZONTAL ELLIPSISN and OMIDLINE HORIZONTAL ELLIPSISO are 2.598(5) angstrom and 2.990(5) angstrom, respectively; O-HMIDLINE HORIZONTAL ELLIPSISN = 147 degrees and O-HMIDLINE HORIZONTAL ELLIPSISO = 134 degrees). According to DFT, compound 2d also shows the intramolecular hydrogen bonding, while there is no this type of interaction in compound 2b and 2c.
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Reference:
Thiomorpholine – Wikipedia,
,Thiomorpholine | C4H9NS – PubChem