Synthetic and Crystallographic Studies of (9-Ethyl-9H-carbazol-3-yl)-carbamic acid tert-butyl ester

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• 作者：Rama Kant ; Vishal Singh ; Alka Agarwal
• 关键词：Single crystal X ; ray study ; 3 ; Amino ; 9 ; ethylcarbazole ; Hydrogen bonding ; TGA & DSC ; C–H···π
• 刊名：Proceedings of the National Academy of Sciences, India Section A: Physical Sciences
• 出版年：2015
• 出版时间：September 2015
• 年：2015
• 卷：85
• 期：3
• 页码：329-335
• 全文大小：2,224 KB
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• 作者单位：Rama Kant (1)
  Vishal Singh (1)
  Alka Agarwal (1)
  
  1. Department of Medicinal Chemistry, Institute of Medical Sciences, Banaras Hindu University, Varanasi, Uttar Pradesh, 221005, India
  
• 刊物主题：Physics, general; Applied and Technical Physics; Atomic, Molecular, Optical and Plasma Physics; Quantum Physics;
• 出版者：Springer India
• ISSN：2250-1762

文摘

The title compound (9-ethyl-9H-carbazol-3-yl)-carbamic acid tert-butyl ester was prepared from 3-amino-9-ethylcarbazole and di-tert-butyldicarbonate (Boc anhydride) in good yield. It was characterized by elemental analysis, FT-NMR, FT-IR spectroscopy and subjected to single crystal X-ray diffraction studies. The compound crystallizes in monoclinic space group P21/c with unit cell dimensions are a = 13.5218(8) ?, b = 12.7624(7) ?, c = 10.1352(6) ?, β = 100.784(6)°, V = 1718.15(17) ?3, D _x = 1.200 Mg m?, and Z = 4. According to X-ray diffraction studies the molecule is in a non planar conformation except for the carbazole moiety and having a dihedral angle of 30.239(89)° between the plane of the carbazole and amide moieties. The molecules are packed in a zig-zag manner and strong N–H···O [C(4) motif] intermolecular hydrogen bonding, weak C–H···π [C(5) motif] and π–π stacking interaction stabilize the crystal packing. The thermal analysis of single crystal was determined by DSC and TGA. Keywords Single crystal X-ray study 3-Amino-9-ethylcarbazole Hydrogen bonding TGA & DSC C–H···π