CSD Entry FORMAC01

Hydrogens Bond types Disorder

Packing Options None Unit Cell 3x3x3

C H₂ O₂

Space Group: P n a 2₁

a 10.241(1) b 3.544(1) c 5.356(1)

α 90 β 90 γ 90

R-Factor: 2.7%

Temperature (K): 98

Identifier	FORMAC01
Source Database	as531be
Reliability Score	Explain score
Author(s)	I.Nahringbauer
Reference	Acta Crystallogr.,Sect.B:Struct.Crystallogr.Cryst.Chem. (1978), 34, 315, doi:10.1107/S0567740878002940
Formula	C H₂ O₂
Compound	Formic acid
Space Group	P n a 2₁
Cell Lengths	a 10.241(1) b 3.544(1) c 5.356(1)
Cell Angles	α 90 β 90 γ 90
Cell Volume	194.391
Z, Z'	Z: 4 Z': 1
R-Factor (%)	2.7
SMILES	OC=O
Polymorph	polymorph 1
Reduced Cell Lengths	a 3.544 b 5.356 c 10.241
Reduced Cell Angles	α 90 β 90 γ 90
Reduced Cell Volume	194.391
Temperature (K)	98
Density (CCDC)	1.573
Average Sigma (C-C)	0 <= sigma <= 0.005
Radiation Probe	x-ray
Conformer	trans conformer
Deposition Numbers	IUCR Coeditor Code: IUCr A15755
Experiment Type	single crystal

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Added to CSD: 18th May 1978; Last modified: 26th July 2011; Published in WebCSD: 4th August 2011 11:03:04