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N-(4-methylphenyl)urea

Sample Originator: Terry L. Threlfalla.

Data Collection: Susanne L. Hutha

Structure Determination: Susanne L. Hutha and Michael B. Hursthousea.

University of Southamptona

C8H10N2O1

InChI=1/C8H10N2O/c1-6-2-4-7(5-3-6)10-8(9)11/h2-5H,1H3,(H3,9,10,11)

Identification Number:10.5258/ecrystals/538
Controlled Keywords:para-substituted phenylurea
Date Created:21 July 2008
Deposited On:01 Aug 2008 16:34
Deposited By:Mrs L. Susanne Coles (née) Huth

Data collection parameters

Chemical formulaC8 H10 N2 O
Crystal morphologyNeedle
Crystal systemMonoclinic
Space group symbolP 21/n
Cell length a4.6154(2)
Cell length b5.3698(2)
Cell length c31.2699(13)
Cell angle alpha90.00
Cell angle beta91.978(2)
Cell angle gamma90.00
Data collection temperature120(2)

Refinement results

Solution figure of merit0.0310
R Factor (Obs)0.0529
R Factor (All)0.0721
Weighted R Factor (Obs)0.1433
Weighted R Factor (All)0.1632

Citation: Huth, Susanne L. and Threlfall, Terry L. and Hursthouse, Michael B. (2008) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/538)
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