Crystallography Open Database

Information card for entry 2214537

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Structure parameters

Chemical name	5-Chloro-3-ethyl-N-[3-(morpholin-4-yl)propyl]-1H-indole-2-carboxamide
Formula	C18 H24 Cl N3 O2
Calculated formula	C18 H24 Cl N3 O2
SMILES	c1(ccc2c(c1)c(c(C(=O)NCCCN1CCOCC1)[nH]2)CC)Cl
Title of publication	5-Chloro-3-ethyl-<i>N</i>-[3-(morpholin-4-yl)propyl]-1<i>H</i>-indole-2-carboxamide
Authors of publication	Muirhead, Kirsty E. A.; Trembleau, Laurent; Harrison, William T. A.
Journal of publication	Acta Crystallographica Section E
Year of publication	2007
Journal volume	63
Journal issue	8
Pages of publication	o3390 - o3390
a	4.8178 ± 0.0003 Å
b	12.1967 ± 0.0012 Å
c	29.576 ± 0.003 Å
α	90°
β	93.265 ± 0.005°
γ	90°
Cell volume	1735.1 ± 0.3 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.1993
Residual factor for significantly intense reflections	0.1422
Weighted residual factors for significantly intense reflections	0.3029
Weighted residual factors for all reflections included in the refinement	0.342
Goodness-of-fit parameter for all reflections included in the refinement	1.085
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

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