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A Novel Nicotinamide Adenine Dinucleotide Correction Method for Intracellular Ca2+ Measurement with Fura-2-Analog in Live Cells
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N-Cyclo-hexyl-nicotinamide.

Na Li1

  • 1Shenyang Research Institute of Chemical Industry, Shenyang 110021, People's Republic of China.

Acta Crystallographica. Section E, Structure Reports Online
|May 19, 2011
PubMed
Summary

This study details the crystal structure of a novel organic compound, C(12)H(16)N(2)O. Molecular analysis reveals specific dihedral angles and intermolecular interactions, including hydrogen bonds and pi-pi stacking, influencing crystal packing.

Area of Science:

  • Crystallography
  • Organic Chemistry
  • Supramolecular Chemistry

Background:

  • Understanding the three-dimensional arrangement of atoms in organic molecules is crucial for predicting their properties.
  • Intermolecular forces, such as hydrogen bonding and pi-pi interactions, play a significant role in the self-assembly and stability of crystal structures.

Purpose of the Study:

  • To elucidate the detailed crystal structure of the title compound, C(12)H(16)N(2)O.
  • To investigate the specific intermolecular interactions governing the crystal packing.

Main Methods:

  • Single-crystal X-ray diffraction was employed to determine the molecular and crystal structure.
  • Analysis of the crystal structure included the measurement of dihedral angles and identification of hydrogen bonding and pi-pi interactions.

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Main Results:

  • The dihedral angle between the pyridine ring and the C/O/N plane was determined to be 22.93(7)°.
  • Intermolecular N-H⋯O hydrogen bonds were observed, forming extended chains along the [001] direction.
  • Pi-pi interactions between pyridine rings with a centroid-centroid distance of 3.825(2) Å were identified.

Conclusions:

  • The crystal structure of C(12)H(16)N(2)O is characterized by a specific dihedral angle and is stabilized by a combination of N-H⋯O hydrogen bonds and pi-pi stacking interactions.
  • These intermolecular forces dictate the formation of extended chains and influence the overall crystal architecture.