Information card for entry 7235106
| Common name |
cimetidinium fumarate |
| Chemical name |
cimetidinium fumarate polymorph 1 |
| Formula |
C14 H20 N6 O4 S |
| Calculated formula |
C14 H20 N6 O4 S |
| Title of publication |
Mechanochemistryvs.solution growth: striking differences in bench stability of a cimetidine salt based on a synthetic method |
| Authors of publication |
Ayoub, Ghada; Štrukil, Vjekoslav; Fábián, László; Mottillo, Cristina; Bao, Huizhi; Murata, Yasujiro; Moores, Audrey; Margetić, Davor; Eckert-Maksić, Mirjana; Friščić, Tomislav |
| Journal of publication |
CrystEngComm |
| Year of publication |
2018 |
| Journal volume |
20 |
| Journal issue |
45 |
| Pages of publication |
7242 |
| a |
7.90643 ± 0.00032 Å |
| b |
8.3568 ± 0.0004 Å |
| c |
14.2156 ± 0.0005 Å |
| α |
87.61 ± 0.0033° |
| β |
75.2582 ± 0.003° |
| γ |
76.179 ± 0.005° |
| Cell volume |
881.86 ± 0.07 Å3 |
| Cell temperature |
293 K |
| Ambient diffraction temperature |
293 K |
| Number of distinct elements |
5 |
| Space group number |
2 |
| Hermann-Mauguin space group symbol |
P -1 |
| Hall space group symbol |
-P 1 |
| RFsqd |
0.08581 |
| Goodness-of-fit parameter for all reflections |
1.41 |
| Method of determination |
powder diffraction |
| Diffraction radiation probe |
x-ray |
| Diffraction radiation wavelength |
1.5406 Å |
| Diffraction radiation type |
CuKα~1~ |
| Has coordinates |
Yes |
| Has disorder |
No |
| Has Fobs |
No |
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The link is:
https://www.crystallography.net/7235106.html
