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Int. J. Mol. Sci. 2007, 8(2), 103-115; doi:10.3390/i8020103
Article

Electron Charge Density Distribution from X-ray Diffraction Study of the M-Nitrophenol Compound in the Monoclinic Form

1,* , 1, 1, 2 and 2
Received: 30 October 2006; Accepted: 17 January 2007 / Published: 16 February 2007
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Abstract: At room temperature, the m-Nitrophenol (m-NPH) appears in two polymorphicstructures: orthorhombic and monoclinic forms. In the present work, we shall focus on themonoclinic form of this compound which has a centrosymmetric structure with the spacegroup P21/n. The molecular dipole moment has been estimated experimentally. Highresolution single crystal diffraction experiment was performed at low temperature withMoKα radiation. The crystal structure was refined using the multipolar model of Hansen andCoppens (1978). The molecular electron charge density distribution is described accurately.The study reveals the nature of inter-molecular interactions including charge transfer andhydrogen bonds. In this crystal, hydrogen bonds of moderate strength occur between thehydroxyl group and the O atom in the nitro one.
Keywords: Electron charge density; M-Nitrophenol; XD program; nonlinear optical compound (NLO) Electron charge density; M-Nitrophenol; XD program; nonlinear optical compound (NLO)
This is an open access article distributed under the Creative Commons Attribution License which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited.

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MDPI and ACS Style

Hamzaoui, F.; Drissi, M.; Chouaih, A.; Lagant, P.; Vergoten, G. Electron Charge Density Distribution from X-ray Diffraction Study of the M-Nitrophenol Compound in the Monoclinic Form. Int. J. Mol. Sci. 2007, 8, 103-115.

AMA Style

Hamzaoui F, Drissi M, Chouaih A, Lagant P, Vergoten G. Electron Charge Density Distribution from X-ray Diffraction Study of the M-Nitrophenol Compound in the Monoclinic Form. International Journal of Molecular Sciences. 2007; 8(2):103-115.

Chicago/Turabian Style

Hamzaoui, Fodil; Drissi, Mokhtaria; Chouaih, Abdelkader; Lagant, Philippe; Vergoten, Gérard. 2007. "Electron Charge Density Distribution from X-ray Diffraction Study of the M-Nitrophenol Compound in the Monoclinic Form." Int. J. Mol. Sci. 8, no. 2: 103-115.


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