Abstract:The crystal structure of sodium sulfanilate dihydrate (H2NC6H4SOaNa.2H20) has been determined. The compound crystallizes in the orthorhombic space group Pbca with a= 23"895 (5), b = 10.101 (2) and c = 7.944 (2) A. The sodium atom has a distorted octahedral coordination of oxygen atoms; the amino group of the sulfanilate ion is considerably distorted from a planar conformation, partly owing to hydrogen bonding in the crystal.
“…From the singlecrystal XRD analysis it is confirmed that the grown crystal is orthorhombic and the space group is P bca . The obtained crystallographic data are in good agreement with the reported values [4].…”
“…From the singlecrystal XRD analysis it is confirmed that the grown crystal is orthorhombic and the space group is P bca . The obtained crystallographic data are in good agreement with the reported values [4].…”
“…The frequencies of the OH hydrogen bands change with the OO distances, in agreement with the general correlation that predicts a change of a bit less than 1000 cm -1 /Å. The OO distances decrease about 0.03 Å between RT and 78 K, , and the observed shifts are about 10 cm -1 to lower wavenumbers. 7 A plot of the OH (upper panel) and the OD (lower panel) stretching band frequencies of HOD as a function of temperature for sodium sulfanilate dihydrate.…”
Section: Resultssupporting
confidence: 86%
“…SSDH crystallizes in bipyramidal plates with an orthorhombic space group P bca (D 15 2h , #61) and eight molecules per unit cell. , The cell parameters are a = 23.895, b = 10.101, and c = 7.944 Å at room temperature (RT). The X-ray studies show no evidence of a phase transition between RT and 78 K. The benzene ring is close to planar, with the sulfur and the nitrogen atoms displaced out of this plane.…”
We have studied the infrared spectra of the OH(D) hydrogen bonds from the water and NH(D) bonds
from the NH2 group in the title compound as functions of deuterium concentration and temperature. Some of
the vibrational stretching bands are re-assigned. The crystal contains two distinct water molecules. The two
OD bands from one HOD molecule merge together as the temperature is raised, suggesting homogenization
of the environments of two OD's due to increasing librational motion. The two OD bands from the other
HOD molecule behave as expected and do not merge over the temperature range. The two ND bands of the
HND group show the overlap or resonances between the ND bands and combination bands. The shifts with
temperature of the various stretching bands of the hydrogen-bonded atoms are in agreement with the changes
expected from the changes in structure determined by previous X-ray analyses.
“…The structure of the SSDH compound in a single crystal was determined. [ 5 ] It has an orthorhombic crystal structure with the coordinates ( a = 23.895 (11) A), ( b = 10.101 (4) A), and ( c = 7.944 (7) A) and the space group Pbca. The packing diagram, NLO studies, and physical characterisation of the SSDH crystal were all detailed by Mythili et al., [ 6 ] who grew the crystal using the conventional solution technique (SEST).…”
A nonlinear optical single crystal of sodium sulfanilate dihydrate (SSDH) is formed using the slow evaporation solution approach. Using X‐ray diffraction, the properties of the unit cell are extracted from a single crystal. Using UV‐Vis‐NIR spectroscopy, the optical transmittance of crystals is determined. Mechanical toughness is evaluated using a Vickers micro hardness test. Sodium sulfanilate dihydrate is synthesized as a single crystal and etched for analysis. Photoacoustic spectroscopy is used to examine the sample's thermal diffusivity. The crystal's thermophysical properties are vital for every element of heat transfer incidences, in addition to being employed in many other applications, including as Nd:YAG lasers, Nd:YLF lasers, acousto‐optics, and microelectronics industry applications.
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