Crystallography Open Database

Information card for entry 2100312

Preview

Coordinates	2100312.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C6 H10 N2 O2
Calculated formula	C6 H10 N2 O2
SMILES	NC(=O)CN1CCCC1=O
Title of publication	Validation of a search technique for crystal structure prediction of flexible molecules by application to piracetam
Authors of publication	Nowell, Harriott; Price, Sarah L.
Journal of publication	Acta Crystallographica, Section B: Structural Science
Year of publication	2005
Journal volume	61
Journal issue	5
Pages of publication	558 - 568
a	6.4302 Å
b	6.4217 Å
c	17.3636 Å
α	90°
β	104.924°
γ	90°
Cell volume	692.808 Å³
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Method of determination	theoretical
Duplicate of	2100167
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

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