Crystallography Open Database

Information card for entry 2214359

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Structure parameters

Chemical name	(<i>S</i>)-2-(1-Benzyl-5-bromo-1<i>H</i>-indol-3-yl)-2-hydroxy-<i>N</i>- methylacetamide
Formula	C18 H17 Br N2 O2
Calculated formula	C18 H17 Br N2 O2
SMILES	Brc1ccc2c(c1)c(cn2Cc1ccccc1)[C@@H](C(=O)NC)O
Title of publication	(<i>S</i>)-2-(1-Benzyl-5-bromo-1<i>H</i>-indol-3-yl)-2-hydroxy-<i>N</i>-methylacetamide
Authors of publication	Lu, Hai-Hua; Chen, Cai-Bao; Hong-Ming Dong
Journal of publication	Acta Crystallographica Section E
Year of publication	2007
Journal volume	63
Journal issue	7
Pages of publication	o3261 - o3261
a	4.5759 ± 0.0006 Å
b	9.4134 ± 0.0011 Å
c	18.54 ± 0.002 Å
α	90°
β	95.049 ± 0.002°
γ	90°
Cell volume	795.51 ± 0.16 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0366
Residual factor for significantly intense reflections	0.0287
Weighted residual factors for significantly intense reflections	0.0608
Weighted residual factors for all reflections included in the refinement	0.0627
Goodness-of-fit parameter for all reflections included in the refinement	0.945
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

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