Published 2005
| Version v1
Miscellaneous
X-ray structure analysis and theoretical study of C13H16N2O2
Description
The title compound, C13H16N2O2, was studied by using both X-ray analysis and CNDO method. The founded results were compared. The title compound, C13H16N2O2 crsytalizes in triclinic P-1 space group. The unit-cell parameters at room temperature are a = 6.608(5), b = 9.092(5), c 11.075(5)A, α = 105.714(5) degrees, β= 98.929(5))degrees, γ = 106.017(5))degrees, V = 596.3(6)A3, Dx = 1.294 g/cm3, Z = 2. By using the CNDO quantum-mechanical method, it was found that the values of the HOMO and LUMO energies are -11.5108 and 3.8534 eV, respectively. The calculated dipole moment of molecule is 4.03 Debyes
Additional details
Additional titles
- Original title (English)
- Oezetler Kitabi
Publishing Information
- Publisher
- Mugla University
- Imprint Place
- Mugla (Turkey)
- Imprint Title
- Book of Abstracts
- Imprint Pagination
- 1130 p.
- Journal Page Range
- p. 479
- Report number
- INIS-TR--112
Conference
- Title
- 23. International Physics Congress of the Turkish Physical Society
- Original Conference Title
- 2005 Dunya Fizik Yili Turk Fizik Dernegi 23. Uluslararasi Fizik Kongresi
- Acronym
- World Year of Physics 2005
- Dates
- 13-16 Sep 2005
- Place
- Mugla (Turkey)
INIS
- Country of Publication
- Turkey
- Country of Input or Organization
- Turkey
- INIS RN
- 37110374
- Subject category
- S75: CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY;
- Resource subtype / Literary indicator
- Conference, Numerical Data, Non-conventional Literature
- Descriptors DEI
- MOLECULES; PIPERIDINES; QUANTUM MECHANICS; THEORETICAL DATA; X-RAY DIFFRACTION
- Descriptors DEC
- AMINES; AZINES; COHERENT SCATTERING; DATA; DIFFRACTION; HETEROCYCLIC COMPOUNDS; INFORMATION; MECHANICS; NUMERICAL DATA; ORGANIC COMPOUNDS; ORGANIC NITROGEN COMPOUNDS; PYRIDINES; SCATTERING
Optional Information
- Notes
- Imprint:Oezetler Kitabi