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Acta Cryst. (2004). E60, o2160-o2162  [ doi:10.1107/S1600536804026790 ]

N-[(2'-Cyanobiphenyl-4-yl)methyl]-L-valine methyl ester hydrochloride: an intermediate in the synthesis of valsartan

H. S. Yathirajan, B. Nagaraj, S. L. Gaonkar, R. S. Narasegowda, P. Nagaraja, B. Prabhuswamy and M. Bolte


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Alert level B PLAT111_ALERT_2_B ADDSYM Detects (Pseudo) Centre of Symmetry ..... 88 PerFit PLAT113_ALERT_2_B ADDSYM Suggests Possible Pseudo/New Spacegroup . P21/c
Alert level C PLAT062_ALERT_4_C Rescale T(min) & T(max) by ..................... 0.98 PLAT230_ALERT_2_C Hirshfeld Test Diff for C3A - C4A .. 5.72 su PLAT371_ALERT_2_C Long C(sp2)-C(sp1) Bond C22 - C27 ... 1.44 Ang. PLAT371_ALERT_2_C Long C(sp2)-C(sp1) Bond C22A - C27A ... 1.44 Ang. PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 41 C23 -C22 -C27 -N27 11.00 7.00 1.555 1.555 1.555 1.555 PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 42 C21 -C22 -C27 -N27 -165.00 7.00 1.555 1.555 1.555 1.555 PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 83 C23A-C22A-C27A-N27A -4.00 3.00 1.555 1.555 1.555 1.555 PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 84 C21A-C22A-C27A-N27A 173.00 3.00 1.555 1.555 1.555 1.555 PLAT720_ALERT_4_C Number of Unusual/Non-Standard Label(s) ........ 2
Alert level G REFLT03_ALERT_4_G Please check that the estimate of the number of Friedel pairs is correct. If it is not, please give the correct count in the _publ_section_exptl_refinement section of the submitted CIF. From the CIF: _diffrn_reflns_theta_max 27.42 From the CIF: _reflns_number_total 8739 Count of symmetry unique reflns 4768 Completeness (_total/calc) 183.28% TEST3: Check Friedels for noncentro structure Estimate of Friedel pairs measured 3971 Fraction of Friedel pairs measured 0.833 Are heavy atom types Z>Si present yes
0 ALERT level A = In general: serious problem 2 ALERT level B = Potentially serious problem 9 ALERT level C = Check and explain 1 ALERT level G = General alerts; check 0 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 5 ALERT type 2 Indicator that the structure model may be wrong or deficient 0 ALERT type 3 Indicator that the structure quality may be low 7 ALERT type 4 Improvement, methodology, query or suggestion

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