6-Morpholinopyridine-2-carbaldehyde

Sample Originator: Donated Sample^a.

Data Collection: Susanne L. Huth^b and Michael B. Hursthouse^b

Structure Determination: Susanne L. Huth^b and James Withnell^b.

Sample kindly provided by Maybridge^a
University of Southampton^b

C₁₀H₁₂N₂O₂

InChI=1/C10H12N2O2/c13-8-9-2-1-3-10(11-9)12-4-6-14-7-5-12/h1-3,8H,4-7H2

Identification Number:	10.5258/ecrystals/355
Date Created:	21 April 2007
Deposited On:	31 Jan 2008 13:12
Deposited By:	Mrs L. Susanne Coles (née) Huth

Depositor Comments

More information about this compound can be found at: http://www.maybridge.com/

Data collection parameters

Chemical formula	C10 H12 N2 O2
Crystal morphology	Cut Plate
Crystal system	Monoclinic
Space group symbol	P2(1)
Cell length a	8.1461(3)
Cell length b	5.9730(2)
Cell length c	9.5815(3)
Cell angle alpha	90.00
Cell angle beta	100.940(2)
Cell angle gamma	90.00
Data collection temperature	120(2)

Refinement results

Solution figure of merit	0.0413
R Factor (Obs)	0.0331
R Factor (All)	0.0355
Weighted R Factor (Obs)	0.0779
Weighted R Factor (All)	0.0801

Citation: Sample, Donated and Huth, Susanne L. and Hursthouse, Michael B. and Withnell, James (2007) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/355)
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Available Files

Final Result

2007jmw0010.cif	12k
2007jmw0010.cml	4k
2007jmw0010.fcf	57k

Validation

2007jmw0010_checkcif.htm

Refinement

2007jmw0010.res	4k
2007jmw0010_xl.lst	28k

Solution

2007jmw0010.prp	6k
2007jmw0010_xs.lst	30k

Processing

2007jmw0010.hkl	208k
2007jmw0010.htm	11k
2007jmw0010_0kl.jpg	30k
2007jmw0010_h0l.jpg	42k
2007jmw0010_hk0.jpg	43k

Other Files

2007jmw0010.inchi	1k
2007jmw0010.ins	4k
2007jmw0010.mol	2k
2007jmw0010.p4p	174k
2007jmw0010_ellipsoid.gif	17k

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