Crystallography Open Database

Information card for entry 2242317

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Structure parameters

Chemical name	4-(Pyrazin-2-yl)morpholine
Formula	C8 H11 N3 O
Calculated formula	C8 H11 N3 O
SMILES	O1CCN(c2nccnc2)CC1
Title of publication	Crystal structure of 4-(pyrazin-2-yl)morpholine
Authors of publication	Bandaru, Siva Sankar Murthy; Kapdi, Anant Ramakant; Schulzke, Carola
Journal of publication	Acta Crystallographica Section E
Year of publication	2018
Journal volume	74
Journal issue	2
Pages of publication	137 - 140
a	17.069 ± 0.003 Å
b	5.9278 ± 0.0012 Å
c	7.8053 ± 0.0016 Å
α	90°
β	90.54 ± 0.03°
γ	90°
Cell volume	789.7 ± 0.3 Å³
Cell temperature	170 ± 2 K
Ambient diffraction temperature	170 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0459
Residual factor for significantly intense reflections	0.0315
Weighted residual factors for significantly intense reflections	0.0756
Weighted residual factors for all reflections included in the refinement	0.0806
Goodness-of-fit parameter for all reflections included in the refinement	1.007
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
301807 (current)	2025-08-19	Add cross-references to PubChem compounds in COD range 2/24 Each referenced PubChem compound corresponds to the full crystal structure.	2242317.cif
205168	2018-01-13	cif/ Adding structures of 2242317 via cif-deposit CGI script.	2242317.cif