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Information card for entry 2240394
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Coordinates | 2240394.cif |
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Original IUCr paper | HTML |
Common name | Crotonaldehyde thiosemicarbazone |
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Chemical name | (<i>E</i>)-2-[(<i>E</i>)-But-2-en-1-yldene]hydrazinecarbothioamide |
Formula | C5 H9 N3 S |
Calculated formula | C5 H9 N3 S |
SMILES | C/C=C/C=N/NC(=S)N |
Title of publication | Crystal structures of crotonaldehyde semicarbazone and crotonaldehyde thiosemicarbazone from X-ray powder diffraction data |
Authors of publication | Arfan, Atef; Rukiah, Mwaffak |
Journal of publication | Acta Crystallographica Section E |
Year of publication | 2015 |
Journal volume | 71 |
Journal issue | 2 |
Pages of publication | 168 - 172 |
a | 5.8665 ± 0.00017 Å |
b | 8.0313 ± 0.0002 Å |
c | 9.0795 ± 0.0004 Å |
α | 104.141 ± 0.0018° |
β | 101.04 ± 0.0019° |
γ | 106.351 ± 0.0017° |
Cell volume | 382.16 ± 0.02 Å3 |
Cell temperature | 298 K |
Ambient diffraction temperature | 298 K |
Number of distinct elements | 4 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Goodness-of-fit parameter for all reflections | 1.29 |
Method of determination | powder diffraction |
Diffraction radiation wavelength | 1.5406 Å |
Diffraction radiation type | CuKα~1~ |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
176809 (current) | 2016-02-21 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 2. |
2240394.cif |
129971 | 2015-01-18 | cif/ Adding structures of 2240393, 2240394 via cif-deposit CGI script. |
2240394.cif |
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