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Volume 68 
Part 11 
Page o3135  
November 2012  

Received 14 September 2012
Accepted 25 September 2012
Online 13 October 2012

Key indicators
Single-crystal X-ray study
T = 293 K
Mean [sigma](C-C) = 0.003 Å
R = 0.029
wR = 0.069
Data-to-parameter ratio = 7.1
Details
Open access

1H-Indole-3-carbaldehyde

aDepartment of Studies in Physics, Manasagangotri, University of Mysore, Mysore 570 006, India,bDepartment of Physics, Faculty of Science, An Najah National University, Nabtus, West Bank, Palestinian Territories, and cDepartment of Studies in Chemistry, Manasagangotri, University of Mysore, Mysore 570 006, India
Correspondence e-mail: mas@physics.uni-mysore.ac.in

In the title compound, C9H7NO, the benzene ring forms a dihedral angle of 3.98 (12)° with the pyrrole ring. In the crystal, N-H...O hydrogen bonds links the molecules into chains which run parallel to [02-1].

Related literature

For a related structure, see: Rizal et al. (2008[Rizal, M. R., Ali, H. M. & Ng, S. W. (2008). Acta Cryst. E64, o555.]).

[Scheme 1]

Experimental

Crystal data
  • C9H7NO

  • Mr = 145.16

  • Orthorhombic, P c a 21

  • a = 14.0758 (9) Å

  • b = 5.8059 (4) Å

  • c = 8.6909 (5) Å

  • V = 710.24 (8) Å3

  • Z = 4

  • Mo K[alpha] radiation

  • [mu] = 0.09 mm-1

  • T = 293 K

  • 0.30 × 0.20 × 0.20 mm

Data collection
  • Bruker Kappa APEXII CCD diffractometer

  • 3791 measured reflections

  • 775 independent reflections

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

  • Rint = 0.024

Refinement
  • R[F2 > 2[sigma](F2)] = 0.029

  • wR(F2) = 0.069

  • S = 1.08

  • 775 reflections

  • 109 parameters

  • 1 restraint

  • H atoms treated by a mixture of independent and constrained refinement

  • [Delta][rho]max = 0.11 e Å-3

  • [Delta][rho]min = -0.09 e Å-3

Table 1
Hydrogen-bond geometry (Å, °)

D-H...A D-H H...A D...A D-H...A
N1-H1A...O1i 0.94 (3) 1.92 (3) 2.831 (2) 165 (3)
Symmetry code: (i) [-x+{\script{3\over 2}}, y-1, z+{\script{1\over 2}}].

Data collection: APEX2 (Bruker, 2004[Bruker (2004). APEX2, SAINT and XPREP. Bruker AXS Inc., Madison, Wisconsin, USA.]); cell refinement: APEX2 and SAINT (Bruker, 2004[Bruker (2004). APEX2, SAINT and XPREP. Bruker AXS Inc., Madison, Wisconsin, USA.]); data reduction: SAINT and XPREP (Bruker, 2004[Bruker (2004). APEX2, SAINT and XPREP. Bruker AXS Inc., Madison, Wisconsin, USA.]); 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: PLATON (Spek, 2009)[Spek, A. L. (2009). Acta Cryst. D65, 148-155.]; software used to prepare material for publication: PLATON[Spek, A. L. (2009). Acta Cryst. D65, 148-155.].


Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: GO2070 ).


Acknowledgements

CSD would like to acknowledge the UGC-BRS and the University of Mysore for financial asistance.

References

Bruker (2004). APEX2, SAINT and XPREP. Bruker AXS Inc., Madison, Wisconsin, USA.
Rizal, M. R., Ali, H. M. & Ng, S. W. (2008). Acta Cryst. E64, o555.  [CSD] [CrossRef] [details]
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.  [CrossRef] [details]
Spek, A. L. (2009). Acta Cryst. D65, 148-155.  [ISI] [CrossRef] [details]


Acta Cryst (2012). E68, o3135  [ doi:10.1107/S1600536812040573 ]

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