Between TH(Min) & STH/ L=0.6 6 912_ALERT_3_C # Missing FCF Reflections Above STH/ L=0.6
In the title molecule, C16H11N5, the mean planes of the quinoxaline and indazole fragments form a dihedral angle of 10.62 (5). # 1 C6 H12 N2 O4 S2ĩ10_ALERT_3_C # Missing FCF Reflections Below TH(Min) R factor 0.046 wR factor 0.143 data-to-parameter ratio 18.9. 6 790_ALERT_4_C Centre of Gravity not Within Unit Cell: Resd.293 KĬonfirm: This determination was performed at room temperature.ģ40_ALERT_3_C Low Bond Precision on C-C bonds ( x 1000) Ang This symbol was pasted from the PLATON Chk file.ġ99_ALERT_1_C Check the Reported _cell_measurement_temperature 293 K 200_ALERT_1_C Check the Reported _diffrn_ambient_temperature. Mount the Crystal The crystal should be selected and mounted using instructions in the Microscope.pdf handout. The absolute structure was known prior to data collection.ġ27_ALERT_1_C Implicit Hall Symbol Inconsistent with Explicit P 61 2 (0 0 5) Bruker D8 goniometer with an APEX ccd (charge-coupled device) detector using the APEX3 software. The effects of pressure can be interpreted in terms of closing-up of voids in the structure, and this leads to (i) a lessening of the N-C-C-O and C-S-S-C torsional angles, (ii) shortening of the N-H O hydrogen bonds by 0.10-0.60 Å and (iii) a further shortening of an already short S S contact from 3.444 (4) Å to 3.264 (4) Å.Ġ34_ALERT_1_C No Flack Parameter Given. The compression occurs approximately equally in the regions of the interlayer hydrogen bonds and the disulfide bridges in the latter, changes in the C-S-S-C torsion angles allow the cystine molecules to act like springs. The most compressible unit-cell dimension, and the direction of greatest strain in the structure, is along the c-axis, and application of pressure pushes the layers closer together. These layers are connected on one side by the disulfide bridges within the cystine molecules, and on the other by NH O hydrogen bonds to other glycine-like layers. The structure consists of hydrogen-bonded layers which are strongly reminiscent of those seen in -glycine, and consist of (16) hydrogen-bonded ring motifs. The structure of this phase consists of molecules in their zwitterionic form, and crystallizes in the hexagonal space group P6 122. The crystal structure of hexagonal L-cystine has been determined at room temperature at pressures between 0.4 and 3.7 GPa unit-cell dimensions were measured up to 6.4 GPa.
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