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Volume 65 
Part 10 
Page o2492  
October 2009  

Received 25 August 2009
Accepted 12 September 2009
Online 19 September 2009

Key indicators
Single-crystal X-ray study
T = 298 K
Mean [sigma](C-C) = 0.005 Å
R = 0.086
wR = 0.246
Data-to-parameter ratio = 21.0
Details
Open access

N-Butyladamantane-1-carboxamide

aOrdered Matter Science Research Center, College of Chemistry and Chemical Engineering, Southeast University, Nanjing 210096, People's Republic of China
Correspondence e-mail: nysima@126.com

In the crystal of the title compound, C15H25NO, the molecules are linked into chains propagating in [001] by intermolecular N-H...O hydrogen bonds.

Related literature

For a related structure, see: SiMa (2009[SiMa, W. (2009). Acta Cryst. E65, o2452.]). For further synthetic details, see: Tadashi & Sasaki (1969[Tadashi, X. & Sasaki, Y. (1969). Bull. Chem. Soc. Jpn, 42, 1617-1621.]).

[Scheme 1]

Experimental

Crystal data
  • C15H25NO

  • Mr = 235.36

  • Monoclinic, C 2/c

  • a = 32.257 (7) Å

  • b = 9.4353 (19) Å

  • c = 9.5328 (19) Å

  • [beta] = 101.69 (3)°

  • V = 2841.1 (10) Å3

  • Z = 8

  • Mo K[alpha] radiation

  • [mu] = 0.07 mm-1

  • T = 298 K

  • 0.20 × 0.20 × 0.20 mm

Data collection
  • Rigaku SCXmini diffractometer

  • Absorption correction: none

  • 14458 measured reflections

  • 3260 independent reflections

  • 1544 reflections with I > 2[sigma](I)

  • Rint = 0.077

Refinement
  • R[F2 > 2[sigma](F2)] = 0.086

  • wR(F2) = 0.246

  • S = 1.04

  • 3260 reflections

  • 155 parameters

  • H-atom parameters constrained

  • [Delta][rho]max = 0.36 e Å-3

  • [Delta][rho]min = -0.32 e Å-3

Table 1
Hydrogen-bond geometry (Å, °)

D-H...A D-H H...A D...A D-H...A
N1-H1C...O1i 0.99 1.96 2.896 (3) 158
Symmetry code: (i) [x, -y, z-{\script{1\over 2}}].

Data collection: CrystalClear (Rigaku, 2005[Rigaku (2005). CrystalClear. Rigaku Corporation, Tokyo, Japan.]); cell refinement: CrystalClear; data reduction: CrystalClear; program(s) used to solve structure: SHELXS97 (Sheldrick, 2008[Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.]); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008[Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.]); molecular graphics: SHELXTL (Sheldrick, 2008[Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.]); software used to prepare material for publication: SHELXL97.


Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: HB5069 ).


Acknowledgements

The author is grateful to the starter fund of Southeast University for financial support to buy the X-ray diffractometer.

References

Rigaku (2005). CrystalClear. Rigaku Corporation, Tokyo, Japan.
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.  [CrossRef] [details]
SiMa, W. (2009). Acta Cryst. E65, o2452.  [CSD] [CrossRef] [details]
Tadashi, X. & Sasaki, Y. (1969). Bull. Chem. Soc. Jpn, 42, 1617-1621.


Acta Cryst (2009). E65, o2492  [ doi:10.1107/S1600536809036897 ]

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