Afc 10 saturn 724 ccd diffractometer

Infrared spectra (IR) is recorded on a Bruker Equinox 55 infrared spectrometer. Elemental analyses (C, H, O, and N) are performed on a varioMICRO cube fully automatic trace element analyzer. ¹H and ¹³C NMR spectra are recorded on Bruker Advance 400 nuclear magnetic resonance spectrometers. The single crystal X-ray diffraction data collections are carried out on a Rigaku AFC-10/Saturn 724+CCD diffractometer. The density at 25 °C is determined by Micromeritics Accupyc II 1340 pycnometer automatic true density meter. Thermal decomposition temperatures are determined by using DSC and thermogravimetric (TG) on a CDR-4 of Shanghai Precision & Scientific Instrument Co., Ltd. The long-term thermal stability, flame and electrostatic discharge sensitivity, bulk density, flowability, PD, solubility, and MPC test (or initiation capability test) are measured according to the method given by GJB 5891-2006, respectively. Impact and friction sensitivity measurements were made using a standard BAM Fall hammer and a BAM friction tester. The heat of formation is calculated with the Gaussian 09 software. The detonation parameters are calculated based on the program suite of EXPLO5 (version 6.02).

The data collections of the single crystal X-ray diffraction of BHM (0.24 × 0.23 × 0.2 mm) were carried out on a Rigaku AFC-10/Saturn 724 + CCD diffractometer with graphite-monochromated Mo Kα radiation (λ = 0.71073 Å), using the multi-scan technique. The structures were determined by direct methods using SHELXS-2014 and refined by full-matrix least-squares procedures on F² with SHELXL-2014. A total of 9673 integrated reflections were collected, and 2896 were unique in the range with R_int = 0.0434 and R_sigma = 0.0409. The maximum/minimum residual electron density = 0.396/−0.428 eÅ⁻³. Structural information was deposited with the Cambridge Crystallographic Data Center (CCDC 1902058).